phenolphthalein

Synonyms: "euchessina", "phthalimetten", "chocolax", "espotabs", "laxogen", "phenolax", "purgophen", "koprol"

Source: phenolphthalein is an indicator of acids (colorless) and bases (pink).

Identifiers:

IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
CAS Number: 77-09-8
PubChem ID: 4764
InChiKey: KJFMBFZCATUALV-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Structural Properties:

Molecular Formula: C20H14O4
Molecular Weight: 318,3228

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 24

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

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


Bitman J, Cecil HC. 1970. Estrogenic activity of DDT analogs and polychlorinated biphenyls. Journal of Agricultural & Food Chemistry 18(6):1108-1112.
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.

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Keywords


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