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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.
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 |
