Bovine Metabolome Database: Showing metabocard for 2-naphthol (BMDB0012322)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:36:11 UTC

Update Date

2020-04-22 15:49:40 UTC

BMDB ID

BMDB0012322

Secondary Accession Numbers

BMDB12322

Metabolite Identification

Common Name

2-naphthol

Description

2-Naphthol, also known as beta-naphthol or 2-naftol, belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Based on a literature review a significant number of articles have been published on 2-Naphthol.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Hydroxynaphthalene	ChEBI
2-Naftol	ChEBI
2-Naftolo	ChEBI
2-Naphthalenol	ChEBI
2-Naphtol	ChEBI
Antioxygene BN	ChEBI
Azogen developer a	ChEBI
beta-Hydroxynaphthalene	ChEBI
beta-Naftol	ChEBI
beta-Naftolo	ChEBI
beta-Naphthol	ChEBI
beta-Naphthyl alcohol	ChEBI
beta-Naphthyl hydroxide	ChEBI
beta-Naphtol	ChEBI
C.I. azoic coupling component 1	ChEBI
C.I. developer 5	ChEBI
Developer a	ChEBI
Developer ams	ChEBI
Developer BN	ChEBI
Isonaphthol	ChEBI
b-Hydroxynaphthalene	Generator
Β-hydroxynaphthalene	Generator
b-Naftol	Generator
Β-naftol	Generator
b-Naftolo	Generator
Β-naftolo	Generator
b-Naphthol	Generator
Β-naphthol	Generator
b-Naphthyl alcohol	Generator
Β-naphthyl alcohol	Generator
b-Naphthyl hydroxide	Generator
Β-naphthyl hydroxide	Generator
b-Naphtol	Generator
Β-naphtol	Generator
beta-Monoxynaphthalene	HMDB
beta-Napthol	HMDB
Beta.-hydroxynaphthalene	HMDB
Betanaphthol	HMDB
Hydronaphthol	HMDB
Naphthol b	HMDB
Trimetin	HMDB
2-Naphthol, 8-(14)C-labeled	MeSH, HMDB
2-Naphthol, magnesium salt	MeSH, HMDB
2-Naphthol, potassium salt	MeSH, HMDB
2-Naphthol, titanium(4+) salt	MeSH, HMDB
2-Naphthol, 7-(14)C-labeled	MeSH, HMDB
2-Naphthol, (1+)	MeSH, HMDB
2-Naphthol, 1,4,5,8-(14)C4-labeled	MeSH, HMDB
2-Naphthol, sodium salt	MeSH, HMDB
2-Naphthol, bismuth salt	MeSH, HMDB

Chemical Formula

C₁₀H₈O

Average Molecular Weight

144.1699

Monoisotopic Molecular Weight

144.057514878

IUPAC Name

naphthalen-2-ol

Traditional Name

β naphthol

CAS Registry Number

135-19-3

SMILES

OC1=CC2=CC=CC=C2C=C1

InChI Identifier

InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

InChI Key

JWAZRIHNYRIHIV-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Naphthols and derivatives

Direct Parent

Naphthols and derivatives

Alternative Parents

Substituents

2-naphthol
1-hydroxy-2-unsubstituted benzenoid
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

naphthol (CHEBI:10432 )
a small molecule (CPD-8131 )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	123 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	2.7	HANSCH,C ET AL. (1995)

Predicted Properties

Property	Value	Source
logP	2.93	ALOGPS
logP	2.66	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	9.78	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	44.49 m³·mol⁻¹	ChemAxon
Polarizability	15.56 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon