3,3-bis(4-hydroxyphenyl)pentane

Synonyms: "4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol", "4,4'-(1-ethylpropane-1,1,-diyl)diphenol", "4,4'-(1-ethylpropylidene)bisphenol"

Source: 3,3-bis(4-hydroxyphenyl)pentane is used for the production of polycarbonate resins.

Identifiers:

IUPAC Name: 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol
CAS Number: 3600-64-4
PubChem ID: 2288503
InChiKey: RKSBPFMNOJWYSB-UHFFFAOYSA-N
Canonical SMILES: CCC(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₇H₂₀O₂
Molecular Weight: 256.340

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

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.