Molecule ID: 135269

IUPAC Name: 2-pentanoyloxybenzoic acid

Description: The molecule is a valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group. It has a role as a cyclooxygenase 1 inhibitor. It is a member of benzoic acids, a valerate ester and a member of salicylates. It derives from a salicylic acid.

SMILES: CCCCC(=O)Oc1ccccc1C(=O)O

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

InChI: InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.6