4,4'-dihydroxy-alpha-methylstilbene

Synonyms: "4,4'-dihydroxy-alpha-methylstilbene", "4,4'-prop-1-ene-1,2-diyldiphenol", "(E)-alpha-methylstilbene-4,4'-diol", "4,4'-dihydroxy-trans-alpha-methylstilbene", "1,2-bis-(4-hydroxy-phenyl)-prop-1-ene", "4,4'-(1E)-prop-1-ene-1,2-diyldiphenol", "4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol".

Source: 4,4'-dihydroxy-alpha-methylstilbene is a metabolite of the plasticizer bisphenol a.

Identifiers:

IUPAC Name: 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
CAS Number: 72108-22-6
PubChem ID: 5282240
InChiKey: PMNXCGMIMVLCRP-ZHACJKMWSA-N
Canonical SMILES: CC(=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₅H₁₄O₂
Molecular Weight: 226.275

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17

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

Yamaguchi A, Ishibashi H, Kohra S, Arizono K, Tominaga N. 2005. Short-term effects of endocrine-disrupting chemicals on the expression of estrogen-responsive genes in male medaka (Oryzias latipes). Aquat Toxicol 72(3):239-249. DOI: 10.1016/j.aquatox.2004.12.011. URL: https://www.sciencedirect.com/science/article/pii/S0166445X05000123.