Molecule ID: 102614

IUPAC Name: 2,3-bis(4-hydroxyphenyl)propanenitrile

Description: The molecule is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a member of phenols and a nitrile.

SMILES: N#CC(Cc1ccc(O)cc1)c1ccc(O)cc1

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

InChI: InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2

Molecular Properties:
- Polar Surface Area: 64.2 Ų
- LogP: 2.9