Molecule ID: 68756

IUPAC Name: 2-[4-(3-hydroxyiminocyclohexyl)phenyl]propanoic acid

Description: The molecule is a monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group. It has a role as a non-steroidal anti-inflammatory drug. It is a monocarboxylic acid and a ketoxime. It derives from a hydratropic acid.

SMILES: CC(C(=O)O)c1ccc(C2CCCC(=NO)C2)cc1

SELFIES: [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][C][C][C][C][=Branch1][Ring1][=N][O][C][Ring1][Branch2][C][=C][Ring1][=C]

InChI: InChI=1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 69.9 Ų
- LogP: 2.6