Molecule ID: 2826719

IUPAC Name: 2,4-dihydroxy-6-pentylbenzoic acid

Description: The molecule is a member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. It has a role as a metabolite. It is a monocarboxylic acid, a member of benzoic acids, a member of resorcinols and a polyketide. It derives from an olivetol. It is a conjugate acid of an olivetolate.

SMILES: CCCCCc1cc(O)cc(O)c1C(=O)O

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

InChI: InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.7