Molecule ID: 53262703

IUPAC Name: 2-[5-[(4-hydroxyphenyl)methyl]-1,2,4-triazol-1-yl]benzoic acid

Description: The molecule is a member of the class of benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum. It has a role as a Penicillium metabolite. It is a member of triazoles, a member of benzoic acids and a member of phenols.

SMILES: O=C(O)c1ccccc1-n1ncnc1Cc1ccc(O)cc1

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

InChI: InChI=1S/C16H13N3O3/c20-12-7-5-11(6-8-12)9-15-17-10-18-19(15)14-4-2-1-3-13(14)16(21)22/h1-8,10,20H,9H2,(H,21,22)

Molecular Properties:
- Polar Surface Area: 88.2 Ų
- LogP: 2.8