tetrahydronaphthol-2

Synonyms: "tetralol", "1,2,3,4-tetrahydro-2-naphthol", "beta-tetralol", "2-hydroxytetralin", "2-tetralinol", "2-hydroxytetraline", "1,2,3,4-tetrahydronaphthalen-2-ol", "2-hydroxytetraline", "2-naphthalenol, 1,2,3,4-tetrahydro-", "Ac-tetrahydro-beta-naphthol"

Source: tetrahydronaphthol-2 is a precursor to the chiral drug candidate MK-0499, a potassium channel blocker targeted for the treatment of ventricular arrhythmias.

Identifiers:

IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-ol
CAS Number: 530-91-6
PubChem ID: 10747
InChiKey: JWQYZECMEPOAPF-UHFFFAOYSA-N
Canonical SMILES: C1CC2=CC=CC=C2CC1O

Structural Properties:

Molecular Formula: C10H12O
Molecular Weight: 148,2017

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CTD (Comparative Toxicogenomics Database)

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


Mueller GC, Kim UH. 1978. Displacement of estradiol from estrogen receptors by simple alkyl phenols. Endocrinology 102(5):1429-1435.

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Keywords


2D-structure

3D-structure

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