phenolphthalol

Synonyms: "normolax", "regmolax", "velaxin", "egmol", "2-[bis(4-hydroxyphenyl)methyl]benzyl alcohol", "o-(bis(p-hydroxyphenyl)methyl)benzyl alcohol"

Source: phenolphthalol is a drug that acts on the central nervous system and is used to treat depressive symptoms.

Identifiers:

IUPAC Name: 4-[[2-(hydroxymethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
CAS Number: 81-92-5
PubChem ID: 66495
InChiKey: CREICILGVGNQBH-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)CO)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C20H18O3
Molecular Weight: 306,35512

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 3
Number of atoms different from hydrogen: 23

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


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

External Links

Keywords


2D-structure

3D-structure

Jmol viewer