bis(4-hydroxyphenyl)[(2-phenoxysulfonyl)phenyl]methane

Synonyms: "phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate", "BHPMM"

Source: bis(4-hydroxyphenyl)[(2-phenoxysulfonyl)phenyl]methane is a minor impurity of commercial phenol red, a pH indicator frequently used in cell biology laboratories.

Identifiers:

IUPAC Name: phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate
CAS Number: 115481-73-7
PubChem ID: 130780
InChiKey: LQYZLQQJRLKQPQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Structural Properties:

Molecular Formula: C25H20O5S
Molecular Weight: 432,488

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 31

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Bindal RD, Katzenellenbogen JA. 1988. Bis(4-hydroxyphenyl)[2-(phenoxysulfonyl)phenyl]methane - isolation and structure elucidation of a novel estrogen from commercial preparations of phenol red (phenolsulfonphthalein). J Med Chem 31(10):1978-1983.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer