Ketoprofen

C₁₆H₁₄O₃CAS 22071-15-4254.28 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₁₆H₁₄O₃
Molar mass: 254.28 g/mol
Exact mass: 254.0943 Da
Melting point: 94 °C
pKa: 3.98
logP: 3.11Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed99.7% of notifiers
H315 Causes skin irritation14.7% of notifiers
H319 Causes serious eye irritation14.7% of notifiers
H335 May cause respiratory irritation14.6% of notifiers

Aggregated from 672 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22071-15-4

SMILES

CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1

InChIKey

DKYWVDODHFEZIM-UHFFFAOYSA-N

InChI

InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

59 names · show all

Benzeneacetic acid, 3-benzoyl-α-methyl-
Hydratropic acid, m-benzoyl-
3-Benzoyl-α-methylbenzeneacetic acid
m-Benzoylhydratropic acid
R.P. 19583
2-(3-Benzoylphenyl)propionic acid
Ketoprophen
Ketoprofene
RU 4733
19583RP
3-Benzoylhydratropic acid
Orudis
2-(m-Benzoylphenyl)propionic acid
Profenid
α-(3-Benzoylphenyl)propionic acid
Alrheumun
Capisten
Aneol
Oruvail
Epatec
(±)-3-Benzoyl-α-methylbenzeneacetic acid
(±)-Ketoprofen
(RS)-Ketoprofen
(±)-m-Benzoylhydratropic acid
(±)-2-(3-Benzoylphenyl)propionic acid
Racemic ketoprofen
Ketorin
Bi-profenid
Menamin
Toprec
Ketopron
iso-K
Toprek
Dexal
Lertus
Oscorel
Orugesic
Kefenid
Fastum
Meprofen
Alrheumat
Knavon
Mohrus
Miltax
Ketonal
Sector
2-(3-Benzoylphenyl)propanoic acid
Zon
Siduro
Rhofenid
IDEA 033
Lasonil
Romefen vet
Febrofen
Refastil
Comforion
Actron ketoprofen
Profenin
Doloket

Work with Ketoprofen

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.

(+)-Ketoprofen22161-81-5Defined stereoisomer S-(+)-Ketoprofen trometamol156604-79-4Salt, defined stereoisomer Ketoprofen lysinate57469-78-0Salt

Similar compounds

2-Phenylpropionic acid492-37-566 % similar (+)-2-Phenylpropionic acid7782-24-366 % similar (-)-2-Phenylpropionic acid7782-26-566 % similar Fenoprofen31879-05-762 % similar 3-Benzoyl-α-methylbenzeneacetonitrile42872-30-056 % similar Tiaprofenic acid33005-95-756 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-655 % similar 1,3-Dibenzoylbenzene3770-82-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Allyloxy-2-hydroxybenzophenone2549-87-3 4-Acetylphenyl ether2615-11-4 6-Methoxyflavanone3034-04-6 Fenbufen36330-85-5 Benzoin acetate574-06-1

Elsewhere

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