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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
Names and Synonyms:
Ibuprofen
Ibu-slow
Ibugen
Isodol
Anco
Nobfelon
Ibudex
Juilifen
Anafen
Emflam
Napacetin
Ibuflamar
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
Hydratropic acid, p-isobutyl-
α-Methyl-4-(2-methylpropyl)benzeneacetic acid
Ibuprofen
p-Isobutylhydratropic acid
2-(p-Isobutylphenyl)propionic acid
Brufen
RD 13621
Motrin
IP 82
4-Isobutylhydratropic acid
α-(4-Isobutylphenyl)propionic acid
2-(4-Isobutylphenyl)propanoic acid
Ibufen
Paduden
Nuprin
p-Isobutyl-2-phenylpropionic acid
Nurofen
Unipron
Rufin
Advil
2-(4′-Isobutylphenyl)propionic acid
Proflex
(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
(±)-Ibuprofen
(RS)-Ibuprofen
(±)-Ibuprophen
(±)-2-(p-Isobutylphenyl)propionic acid
dl-Ibuprofen
(4-Isobutylphenyl)-α-methylacetic acid
4-Isobutyl-α-methylphenylacetic acid
Dolgit
Librofem
Ranofen
Noritis
Bloom
Carol
Panafen
Lidifen
Fenspan
Provon
Pantrop
Ibu-Tab
Andran
Brufanic
Act 3
Roidenin
Rupan
Mynosedin
Ibuprohm
Perofen
Atril 300
Ibren
Ibufug
Mensoton
Cobo
Rafen
Irfen
Tabalon 400
Brufort
Optifen
Dolofen
Fenbid
Zafen
Anflagen
Adex 200
Brufen Retard
Balkaprofen
Drin
Ostofen
Betaprofen
Inflam
Urem
Nagifen-D
Inza
Inabrin
Ibugesic
Lamidon
Antiflam
Algofen
Dolocyl
Ibupirac
Alaxan
Prontalgin
Dolmaral
Lopane
Ibosure
Artril
Buburone
Syntofene
Stelar (pharmaceutical)
Proartinal
Emflam 200
Dibufen
Ifen
Brofen
Ipren
Brufen 400
Ostarin
Novogent
Codral Period Pain
Paxofen
Donjust B
Dorival
Tarein
Nobafon
Ibuprocin
Am-Fam 400
Tofen
Dolofen F
Upfen
Tatanal
Epobron
Easifon
Ebufac
Liptan
Nobgen
Bruflam
Zofen
Motrin IB
IB 100
Bluton
Quadrax
Antarene
Apsifen
Ibusal
Tabalon
Burana
Ibulgan
Opturem
Ibumetin
Relcofen
Uprofen
Gofen
Apo-Ibuprofen
Artofen
Butacortelone
Norton
Focus
Novoprofen
Dolomax
Profen
Dolgin
Artril 300
Femadon
Dolo-Dolgit
Recidol
Amibufen
Ibu-Attritin
Ibutad
Adran
Trendar
Butylenin
Dentigoa
Suspren
Seclodin
Gynofug
Dansida
Dolgirid
U 18753
Haltran
Pediaprofen
Ibuleve
NSC 256857
Buluofen
Actiprofen
Algiflex
Algi-Flanderil
Doretrim
Ibupril
Iprogel
Omafen
Deep relief
Nureflex
Pedea
Caldolor
Genafen
Medprofen
Buprol
Paucofen
Ibuflam
Espen
Multifen
Brustan-N
Ibuflamol
Boosten
IbuHexal
Pedifen
Ibuberofen
BC 1054
Spedifen Zambon
Actron Ibuprofen
Moment
MomentAct
Provil
Stelar
Cetafen Plus
Proris
2-[4-(2-Methylpropyl)phenyl]propanoic acid
Ibuprofen Belupo
Ibubel
Bonifen
Diverin
Identifiers:
SMILES:
CC(C)Cc1ccc(C(C)C(=O)O)cc1
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)
Key Properties
Boiling Point
141-142 °C @ Press: 100 Torr
CAS Common Chemistry
Melting Point
75-77 °C
CAS Common Chemistry
Density
0.92 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.28 g/mol | CAS Common Chemistry |
| 206.28499999999997 g/mol | RDKit | |
| 206.130679816 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9181 g/cm3 @ Temp: 30 °C | CAS Common Chemistry | |
| Boiling Point | 141-142 °C @ Press: 100 Torr | 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 |
| Molar Refractivity | 61.03480000000004 | RDKit |
