4,4'-dihydroxybibenzyl

Synonyms: "4,4'-dihydroxybibenzyl", "bibenzyl-4,4'-diol", "4,4'-(1,2-ethanediyl)bisphenol", "1,2-bis(4-hydroxyphenyl)ethane", "4-[2-(4-hydroxyphenyl)ethyl]phenol", "4,4'-ethylenebisphenol", "4-[4-hydroxy-phenethyl]-phenol".

Source: 4,4'-dihydroxybibenzyl is a metabolite of trans-stilbene, which is a precursor of dyes and optical brighteneres, among others.

Identifiers:

IUPAC Name: 4-[2-(4-hydroxyphenyl)ethyl]phenol
CAS Number: 6052-84-2
PubChem ID: 80152
InChiKey: URFNSYWAGGETFK-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)O)O

Structural Properties:

Molecular Formula: C₁₄H₁₄O₂
Molecular Weight: 214.264

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153. DOI: 10.1093/toxsci/54.1.138. URL: https://academic.oup.com/toxsci/article/54/1/138/1670624.