Back to Search

Ketoprofen

CAS: 22071-15-4 | C16H14O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 22071-15-4
Molecular Formula: C16H14O3
Molecular Weight: 254.285 g/mol

Names and Synonyms:

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

Identifiers:

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

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

Physical Properties

Property Value Source
molecular_mass 254.28 g/mol Legacy Database
cas-canonical-smile O=C(O)C(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C None Legacy Database
cas-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) None Legacy Database
cas-inchi-key InChIKey=DKYWVDODHFEZIM-UHFFFAOYSA-N None Legacy Database
cas-melting-point 94 °C None Legacy Database
cas-name Ketoprofen None Legacy Database
LogP 3.1057000000000015 RDKit

Molecular

Property Value Source
Molecular Weight 254.285 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 254.094294308 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 19 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 54.37 Ų RDKit

Molar

Property Value Source
Molar Refractivity 72.36730000000003 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close