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Ketoprofen
CAS: 22071-15-4 | C16H14O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
22071-15-4
Molecular Formula:
C16H14O3
Molecular Weight:
254.285 g/mol
Names and Synonyms:
Ketoprofen
Common Name
Doloket
Synonym
Profenin
Synonym
Actron Ketoprofen
Synonym
Comforion
Synonym
Refastil
Synonym
Febrofen
Synonym
Romefen Vet
Synonym
Lasonil
Synonym
IDEA 033
Synonym
Rhofenid
Synonym
Siduro
Synonym
Zon
Synonym
2-(3-Benzoylphenyl)propanoic acid
Synonym
Sector
Synonym
Ketonal
Synonym
Miltax
Synonym
Mohrus
Synonym
Knavon
Synonym
Alrheumat
Synonym
Meprofen
Synonym
Fastum
Synonym
Kefenid
Synonym
Orugesic
Synonym
Oscorel
Synonym
Lertus
Synonym
Dexal
Synonym
Toprek
Synonym
Iso-K
Synonym
Ketopron
Synonym
Toprec
Synonym
Menamin
Synonym
Bi-profenid
Synonym
Ketorin
Synonym
Racemic ketoprofen
Synonym
(±)-2-(3-Benzoylphenyl)propionic acid
Synonym
(±)-m-Benzoylhydratropic acid
Synonym
(RS)-Ketoprofen
Synonym
(±)-Ketoprofen
Synonym
(±)-3-Benzoyl-α-methylbenzeneacetic acid
Synonym
Epatec
Synonym
Oruvail
Synonym
Aneol
Synonym
Capisten
Synonym
Alrheumun
Synonym
α-(3-Benzoylphenyl)propionic acid
Synonym
Profenid
Synonym
2-(m-Benzoylphenyl)propionic acid
Synonym
Orudis
Synonym
3-Benzoylhydratropic acid
Synonym
19583RP
Synonym
RU 4733
Synonym
Ketoprofene
Synonym
Ketoprophen
Synonym
2-(3-Benzoylphenyl)propionic acid
Synonym
R.P. 19583
Synonym
m-Benzoylhydratropic acid
Synonym
Ketoprofen
Synonym
3-Benzoyl-α-methylbenzeneacetic acid
Synonym
Hydratropic acid, m-benzoyl-
Synonym
Benzeneacetic acid, 3-benzoyl-α-methyl-
Synonym
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.
All Properties
Comprehensive physical and chemical properties
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.1057000000000015 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 72.36730000000003 | RDKit |