Ibuprofen

C13H18O2CAS 15687-27-1206.28 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
Density
0.9181 g/mL (at 30 °C)
Melting point
75–77 °C
Boiling point
141–142 °C (at 100 Torr)
pKa
4.45, 5.2
Water solubility
21 mg/L
logP
3.07Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 511 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number
15687-27-1
SMILES
CC(C)Cc1ccc(C(C)C(=O)O)cc1
InChIKey
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)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

214 names · show all
  • Ibuprofen, (+-)-
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
  • Buburone
  • Diverin
  • Ibosure
  • Artril
  • 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
  • Ibudex
  • Juilifen
  • 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
  • Hydratropic acid, p-isobutyl-
  • α-Methyl-4-(2-methylpropyl)benzeneacetic acid
  • 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
  • Roidenin
  • Rupan
  • Mynosedin
  • Ibuprohm
  • Perofen
  • Atril 300
  • Ibren
  • Ibufug
  • Mensoton
  • Cobo
  • Rafen
  • Irfen
  • Tabalon 400
  • Brufort
  • Optifen
  • Dolofen
  • Fenbid
  • Anco
  • Anafen
  • Isodol
  • Ibu-slow
  • Ibugen
  • Emflam
  • Nobfelon
  • Napacetin
  • Ibuflamar
  • Act 3
  • 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

Work with Ibuprofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Ibuprofen51146-56-6Defined stereoisomer (-)-Ibuprofen51146-57-7Defined stereoisomer Ibuprofen lysine57469-77-9Salt Ibuprofen58560-75-1

Similar compounds

2-(4-Bromomethyl)phenylpropionic acid111128-12-267 % similar Loxoprofen68767-14-662 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-562 % similar 2-(4-Tolyl)propanoic acid938-94-360 % similar 2-Phenylpropionic acid492-37-559 % similar (+)-2-Phenylpropionic acid7782-24-359 % similar (-)-2-Phenylpropionic acid7782-26-559 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 4′-Hydroxyheptanophenone14392-72-4 Tricyclodecenyl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4 p-tert-Butylphenyl glycidyl ether3101-60-8

Elsewhere

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