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Molecule
Ibuprofen
CAS: 58560-75-1 · C13H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58560-75-1
- Molecular Formula
- C13H18O2
- Molecular Mass
- 206.28 g/mol
Identifiers
CAS Registry Number
58560-75-1
SMILES
CC(C)Cc1ccc(C(C)C(=O)O)cc1
InChI Key
HEFNNWSXXWATRW-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
Names and Synonyms
- Ibuprofen Common Name
- Ibu-slow Synonym
- Ibugen Synonym
- Isodol Synonym
- Anco Synonym
- Nobfelon Synonym
- Ibudex Synonym
- Juilifen Synonym
- Anafen Synonym
- Emflam Synonym
- Napacetin Synonym
- Ibuflamar Synonym
- Benzeneacetic acid, α-methyl-4-(2-methylpropyl)- Synonym
- Hydratropic acid, p-isobutyl- Synonym
- α-Methyl-4-(2-methylpropyl)benzeneacetic acid Synonym
- Ibuprofen Synonym
- p-Isobutylhydratropic acid Synonym
- 2-(p-Isobutylphenyl)propionic acid Synonym
- Brufen Synonym
- RD 13621 Synonym
- Motrin Synonym
- IP 82 Synonym
- 4-Isobutylhydratropic acid Synonym
- α-(4-Isobutylphenyl)propionic acid Synonym
- 2-(4-Isobutylphenyl)propanoic acid Synonym
- Ibufen Synonym
- Paduden Synonym
- Nuprin Synonym
- p-Isobutyl-2-phenylpropionic acid Synonym
- Nurofen Synonym
- Unipron Synonym
- Rufin Synonym
- Advil Synonym
- 2-(4′-Isobutylphenyl)propionic acid Synonym
- Proflex Synonym
- (±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid Synonym
- (±)-Ibuprofen Synonym
- (RS)-Ibuprofen Synonym
- (±)-Ibuprophen Synonym
- (±)-2-(p-Isobutylphenyl)propionic acid Synonym
- dl-Ibuprofen Synonym
- (4-Isobutylphenyl)-α-methylacetic acid Synonym
- 4-Isobutyl-α-methylphenylacetic acid Synonym
- Dolgit Synonym
- Librofem Synonym
- Ranofen Synonym
- Noritis Synonym
- Bloom Synonym
- Carol Synonym
- Panafen Synonym
- Lidifen Synonym
- Fenspan Synonym
- Provon Synonym
- Pantrop Synonym
- Ibu-Tab Synonym
- Andran Synonym
- Brufanic Synonym
- Act 3 Synonym
- Roidenin Synonym
- Rupan Synonym
- Mynosedin Synonym
- Ibuprohm Synonym
- Perofen Synonym
- Atril 300 Synonym
- Ibren Synonym
- Ibufug Synonym
- Mensoton Synonym
- Cobo Synonym
- Rafen Synonym
- Irfen Synonym
- Tabalon 400 Synonym
- Brufort Synonym
- Optifen Synonym
- Dolofen Synonym
- Fenbid Synonym
- Zafen Synonym
- Anflagen Synonym
- Adex 200 Synonym
- Brufen Retard Synonym
- Balkaprofen Synonym
- Drin Synonym
- Ostofen Synonym
- Betaprofen Synonym
- Inflam Synonym
- Urem Synonym
- Nagifen-D Synonym
- Inza Synonym
- Inabrin Synonym
- Ibugesic Synonym
- Lamidon Synonym
- Antiflam Synonym
- Algofen Synonym
- Dolocyl Synonym
- Ibupirac Synonym
- Alaxan Synonym
- Prontalgin Synonym
- Dolmaral Synonym
- Lopane Synonym
- Ibosure Synonym
- Artril Synonym
- Buburone Synonym
- Syntofene Synonym
- Stelar (pharmaceutical) Synonym
- Proartinal Synonym
- Emflam 200 Synonym
- Dibufen Synonym
- Ifen Synonym
- Brofen Synonym
- Ipren Synonym
- Brufen 400 Synonym
- Ostarin Synonym
- Novogent Synonym
- Codral Period Pain Synonym
- Paxofen Synonym
- Donjust B Synonym
- Dorival Synonym
- Tarein Synonym
- Nobafon Synonym
- Ibuprocin Synonym
- Am-Fam 400 Synonym
- Tofen Synonym
- Dolofen F Synonym
- Upfen Synonym
- Tatanal Synonym
- Epobron Synonym
- Easifon Synonym
- Ebufac Synonym
- Liptan Synonym
- Nobgen Synonym
- Bruflam Synonym
- Zofen Synonym
- Motrin IB Synonym
- IB 100 Synonym
- Bluton Synonym
- Quadrax Synonym
- Antarene Synonym
- Apsifen Synonym
- Ibusal Synonym
- Tabalon Synonym
- Burana Synonym
- Ibulgan Synonym
- Opturem Synonym
- Ibumetin Synonym
- Relcofen Synonym
- Uprofen Synonym
- Gofen Synonym
- Apo-Ibuprofen Synonym
- Artofen Synonym
- Butacortelone Synonym
- Norton Synonym
- Focus Synonym
- Novoprofen Synonym
- Dolomax Synonym
- Profen Synonym
- Dolgin Synonym
- Artril 300 Synonym
- Femadon Synonym
- Dolo-Dolgit Synonym
- Recidol Synonym
- Amibufen Synonym
- Ibu-Attritin Synonym
- Ibutad Synonym
- Adran Synonym
- Trendar Synonym
- Butylenin Synonym
- Dentigoa Synonym
- Suspren Synonym
- Seclodin Synonym
- Gynofug Synonym
- Dansida Synonym
- Dolgirid Synonym
- U 18753 Synonym
- Haltran Synonym
- Pediaprofen Synonym
- Ibuleve Synonym
- NSC 256857 Synonym
- Buluofen Synonym
- Actiprofen Synonym
- Algiflex Synonym
- Algi-Flanderil Synonym
- Doretrim Synonym
- Ibupril Synonym
- Iprogel Synonym
- Omafen Synonym
- Deep relief Synonym
- Nureflex Synonym
- Pedea Synonym
- Caldolor Synonym
- Genafen Synonym
- Medprofen Synonym
- Buprol Synonym
- Paucofen Synonym
- Ibuflam Synonym
- Espen Synonym
- Multifen Synonym
- Brustan-N Synonym
- Ibuflamol Synonym
- Boosten Synonym
- IbuHexal Synonym
- Pedifen Synonym
- Ibuberofen Synonym
- BC 1054 Synonym
- Spedifen Zambon Synonym
- Actron Ibuprofen Synonym
- Moment Synonym
- MomentAct Synonym
- Provil Synonym
- Stelar Synonym
- Cetafen Plus Synonym
- Proris Synonym
- 2-[4-(2-Methylpropyl)phenyl]propanoic acid Synonym
- Ibuprofen Belupo Synonym
- Ibubel Synonym
- Bonifen Synonym
- Diverin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.28 g/mol | CAS Common Chemistry |
| 206.28499999999997 g/mol | RDKit | |
| 206.285 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9181 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(C1=CC=C(C=C1)CC(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75-77 °C | CAS Common Chemistry |
| Name | Ibuprofen | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.073200000000001 | RDKit |
| 3.0732 | RDKit | |
| 3.12 | chempirical lib | |
| Molar Refractivity | 61.03480000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 206.130679816 g/mol | RDKit |
| Boiling Point | 141-142 °C @ 100 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 206.28 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H18O2.
