Mexoprofen
Basic information
- CAS
37529-08-1- Standard SMILES
CC(C(=O)O)c1ccc([C@@H]2CCCC[C@H]2C)cc1- InChIKey
DXKIKFNSKJTQBC-KKXIITGPSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- Mexoprofen
- IUPAC
- 2-[4-[(1R,2R)-2-methylcyclohexyl]phenyl]propanoic acid
- English name
- Mexoprofen
- Molecular formula
- C16H22O2
- Molecular weight
- 246.35
Names & synonyms
Mexoprofen37529-08-1MexoprofeneMexoprofenoMexoprofenum3I63VC13V0Mexoprofen [INN:DCF]MEXOPROFEN [INN]UNII-3I63VC13V0p-(trans-2-Methylcyclohexyl)hydratropic acid4-(trans-2-Methylcyclohexyl)hydratropsaeureRefChem:158437
Show more names
2-[4-[(1R,2R)-2-methylcyclohexyl]phenyl]propanoic acidDTXSID301351401NS00121191Q27257248
Database identifiers
- CAS
37529-08-1- PubChem CID
- 3047744
- DTXSID
DTXSID301351401- ChEMBL
CHEMBL2106868- UNII
- 3I63VC13V0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 383.134 · 383.134±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.42 · 4.420±0.10(predicted)
- FDA UNII
- 3 I63VC13V0 · 3I63VC13V0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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