Back to Search
Molecule
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 Mass
- 254.28 g/mol
Identifiers
CAS Registry Number
22071-15-4
SMILES
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChI Key
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)
Names and Synonyms
- Ketoprofen Common Name
- Benzeneacetic acid, 3-benzoyl-α-methyl- Synonym
- Hydratropic acid, m-benzoyl- Synonym
- 3-Benzoyl-α-methylbenzeneacetic acid Synonym
- Ketoprofen Synonym
- m-Benzoylhydratropic acid Synonym
- R.P. 19583 Synonym
- 2-(3-Benzoylphenyl)propionic acid Synonym
- Ketoprophen Synonym
- Ketoprofene Synonym
- RU 4733 Synonym
- 19583RP Synonym
- 3-Benzoylhydratropic acid Synonym
- Orudis Synonym
- 2-(m-Benzoylphenyl)propionic acid Synonym
- Profenid Synonym
- α-(3-Benzoylphenyl)propionic acid Synonym
- Alrheumun Synonym
- Capisten Synonym
- Aneol Synonym
- Oruvail Synonym
- Epatec Synonym
- (±)-3-Benzoyl-α-methylbenzeneacetic acid Synonym
- (±)-Ketoprofen Synonym
- (RS)-Ketoprofen Synonym
- (±)-m-Benzoylhydratropic acid Synonym
- (±)-2-(3-Benzoylphenyl)propionic acid Synonym
- Racemic ketoprofen Synonym
- Ketorin Synonym
- Bi-profenid Synonym
- Menamin Synonym
- Toprec Synonym
- Ketopron Synonym
- Iso-K Synonym
- Toprek Synonym
- Dexal Synonym
- Lertus Synonym
- Oscorel Synonym
- Orugesic Synonym
- Kefenid Synonym
- Fastum Synonym
- Meprofen Synonym
- Alrheumat Synonym
- Knavon Synonym
- Mohrus Synonym
- Miltax Synonym
- Ketonal Synonym
- Sector Synonym
- 2-(3-Benzoylphenyl)propanoic acid Synonym
- Zon Synonym
- Siduro Synonym
- Rhofenid Synonym
- IDEA 033 Synonym
- Lasonil Synonym
- Romefen Vet Synonym
- Febrofen Synonym
- Refastil Synonym
- Comforion Synonym
- Actron Ketoprofen Synonym
- Profenin Synonym
- Doloket Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.28 g/mol | CAS Common Chemistry |
| 254.285 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(C=1C=CC=C(C1)C(=O)C=2C=CC=CC2)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=DKYWVDODHFEZIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94 °C | CAS Common Chemistry |
| Name | Ketoprofen | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.37 Ų | RDKit |
| LogP | 3.1057000000000015 | RDKit |
| 3.1057 | RDKit | |
| Molar Refractivity | 72.36730000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 254.094294308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 254.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H14O3.
