Molecule ID: 53952360

IUPAC Name: 4-[(4-hydroxyphenyl)methylsulfonylmethyl]phenol

Description: The molecule is a sulfone compound having two S-4-hydroxybenzyl substituents. Isolated from the tuber of Gastrodia elata, it exhibits inhibitory effect on platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a sulfone and a member of phenols.

SMILES: O=S(=O)(Cc1ccc(O)cc1)Cc1ccc(O)cc1

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

InChI: InChI=1S/C14H14O4S/c15-13-5-1-11(2-6-13)9-19(17,18)10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2

Molecular Properties:
- Polar Surface Area: 83.0 Ų
- LogP: 1.9