Ibuprofen

C₁₃H₁₈O₂CAS 58560-75-1206.28 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation72% of notifiers
H335 May cause respiratory irritation70.8% of notifiers
H361 Suspected of damaging fertility or the unborn child17.8% of notifiers

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

58560-75-1

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

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
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
Ibuprofen, (+-)-

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 Ibuprofen15687-27-1

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

Elsewhere

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