2,2-bis(4-hydroxyphenyl)-1-propanol

Synonyms: "2,2-bis(4-hydroxyphenyl)propanol", "2,2-bis(4-hydroxyphenyl)propan-1-ol", "4-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]phenol", "4,4'-(1-hydroxypropane-2,2-diyl)diphenol".

Source: 2,2-bis(4-hydroxyphenyl)-1-propanol is a minor product of BPA hydroxylation.

Identifiers:

IUPAC Name: 4-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 142648-65-5
PubChem ID: 656692
InChiKey: HHOUSCIEKLBSGQ-UHFFFAOYSA-N
Canonical SMILES: CC(CO)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₅H₁₆O₃
Molecular Weight: 244.290

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 3
Number of atoms different from hydrogen: 18

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

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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. DOI: 10.2307/3434318 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1533034/.