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)

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

2D-structure

3D-structure