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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 Weight: 206.28499999999997 g/mol

Names and Synonyms:

Ibuprofen
Proris
Diverin
Bonifen
Ibubel
Ibuprofen Belupo
2-[4-(2-Methylpropyl)phenyl]propanoic acid
Cetafen Plus
Stelar
Provil
MomentAct
Moment
Actron Ibuprofen
Spedifen Zambon
BC 1054
Ibuberofen
Pedifen
IbuHexal
Boosten
Ibuflamol
Brustan-N
Multifen
Espen
Ibuflam
Paucofen
Buprol
Medprofen
Genafen
Caldolor
Pedea
Nureflex
Deep relief
Omafen
Iprogel
Ibupril
Doretrim
Algi-Flanderil
Algiflex
Actiprofen
Buluofen
NSC 256857
Ibuleve
Pediaprofen
Haltran
U 18753
Dolgirid
Dansida
Gynofug
Seclodin
Suspren
Dentigoa
Butylenin
Trendar
Adran
Ibutad
Ibu-Attritin
Amibufen
Recidol
Dolo-Dolgit
Femadon
Artril 300
Dolgin
Profen
Dolomax
Novoprofen
Focus
Norton
Butacortelone
Artofen
Apo-Ibuprofen
Gofen
Uprofen
Relcofen
Ibumetin
Opturem
Ibulgan
Burana
Tabalon
Ibusal
Apsifen
Antarene
Quadrax
Bluton
IB 100
Motrin IB
Zofen
Bruflam
Nobgen
Liptan
Ebufac
Easifon
Epobron
Tatanal
Upfen
Dolofen F
Tofen
Am-Fam 400
Ibuprocin
Nobafon
Tarein
Dorival
Donjust B
Paxofen
Codral Period Pain
Novogent
Ostarin
Brufen 400
Ipren
Brofen
Ifen
Dibufen
Emflam 200
Proartinal
Stelar (pharmaceutical)
Syntofene
Buburone
Artril
Ibosure
Lopane
Dolmaral
Prontalgin
Alaxan
Ibupirac
Dolocyl
Algofen
Antiflam
Lamidon
Ibugesic
Inabrin
Inza
Nagifen-D
Urem
Inflam
Betaprofen
Ostofen
Drin
Balkaprofen
Brufen Retard
Adex 200
Anflagen
Zafen
Fenbid
Dolofen
Optifen
Brufort
Tabalon 400
Irfen
Rafen
Cobo
Mensoton
Ibufug
Ibren
Atril 300
Perofen
Ibuprohm
Mynosedin
Rupan
Roidenin
Act 3
Brufanic
Andran
Ibu-Tab
Pantrop
Provon
Fenspan
Lidifen
Panafen
Carol
Bloom
Noritis
Ranofen
Librofem
Dolgit
4-Isobutyl-α-methylphenylacetic acid
(4-Isobutylphenyl)-α-methylacetic acid
dl-Ibuprofen
(±)-2-(p-Isobutylphenyl)propionic acid
(±)-Ibuprophen
(RS)-Ibuprofen
(±)-Ibuprofen
(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
Proflex
2-(4′-Isobutylphenyl)propionic acid
Advil
Rufin
Unipron
Nurofen
p-Isobutyl-2-phenylpropionic acid
Nuprin
Paduden
Ibufen
2-(4-Isobutylphenyl)propanoic acid
α-(4-Isobutylphenyl)propionic acid
4-Isobutylhydratropic acid
IP 82
Motrin
RD 13621
Brufen
2-(p-Isobutylphenyl)propionic acid
p-Isobutylhydratropic acid
Ibuprofen
α-Methyl-4-(2-methylpropyl)benzeneacetic acid
Hydratropic acid, p-isobutyl-
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
Ibuflamar
Napacetin
Emflam
Anafen
Juilifen
Ibudex
Nobfelon
Anco
Isodol
Ibugen
Ibu-slow

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)

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 206.28499999999997 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 206.130679816 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 15 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 37.3 Ų RDKit

Physical Properties

Property Value Source
LogP 3.073200000000001 RDKit
molecular_mass 206.28 g/mol Legacy Database
density 0.92 g/cm³ Legacy Database
cas-boiling-point 141-142 °C @ Press: 100 Torr None Legacy Database
cas-canonical-smile O=C(O)C(C1=CC=C(C=C1)CC(C)C)C None Legacy Database
cas-density 0.9181 g/cm3 @ Temp: 30 °C None Legacy Database
cas-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) None Legacy Database
cas-inchi-key InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N None Legacy Database
cas-melting-point 75-77 °C None Legacy Database
cas-name Ibuprofen None Legacy Database

Molar

Property Value Source
Molar Refractivity 61.03480000000004 RDKit

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