bisphenol E

Synonyms: "4,4'-ethylidenebisphenol", "4,4'-ethylidenediphenol", "1,1-bis(4-hydroxyphenyl)ethane", "4-[1-(4-hydroxyphenyl)ethyl]phenol"

Source: bisphenol E is a substitute for the plasticizer BPA (bisphenol A).

Identifiers:

IUPAC Name: 4-[1-(4-hydroxyphenyl)ethyl]phenol
CAS Number: 2081-08-5
PubChem ID: 608116
InChiKey: HCNHNBLSNVSJTJ-UHFFFAOYSA-N
Canonical SMILES: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C14H14O2
Molecular Weight: 214,2598

Pharmacophore Features:

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

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Gaido KW, Maness SC, McDonnell DP, Dehal SS, Kupfer D, Safe S. 2000. Interaction of methoxychlor and related compounds with estrogen receptor [alpha] and [beta], and androgen receptor: structure-activity studies. Mol Pharmacol 58(4):852-858.
Perez P, Pulgar R, Olea-Serrano F, Villalobos M, Rivas A, Metzler M, Pedraza V, Olea N. 1998. The estrogenicity of bisphenol A-related diphenylalkanes with various substituents at the central carbon and the hydroxy groups. Environ Health Perspect 106(3):167-174.

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