phenolphthalin

Synonyms: "2-[bis(4-hydroxyphenyl)methyl]benzoic acid", "2-[bis(4-hydroxyphenyl)-methyl]benzoic acid", "alpha,alpha-bis(4-hydroxyphenyl)-o-toluic acid"

Source: phenolphthalin is a colorless reduced form of the common indicator phenolphthalein.

Identifiers:

IUPAC Name: 2-[bis(4-hydroxyphenyl)methyl]benzoic acid
CAS Number: 81-90-3
PubChem ID: 66494
InChiKey: FFFPYJTVNSSLBQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O

Structural Properties:

Molecular Formula: C₂₀H₁₆O₄
Molecular Weight: 320.339

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 24

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2D structure (.sdf)
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

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.