Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015011

Phytochemical name: 2-Naphthol

Synonymous chemical names:
2- naphthalenol, beta-naphthol

External chemical identifiers:
CID:CID_8663, ChEMBL:CHEMBL14126, ChEBI:CHEBI:10432, ZINC:ZINC000000967928, FDASRS:P2Z71CIK5H, SureChEMBL:SCHEMBL28781, MolPort-000-872-059

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Chemical structure information

SMILES:
Oc1ccc2c(c1)cccc2

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

InChIKey:
JWAZRIHNYRIHIV-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)cccc6

Functional groups:
cO

Link to spectral information:
MSBNK-LCSB-LU087706, MSBNK-LCSB-LU087704, MSBNK-LCSB-LU087703, MSBNK-LCSB-LU087702, MSBNK-LCSB-LU087701, MSBNK-Eawag-EQ1090856, MSBNK-Eawag-EQ1090855, MSBNK-Eawag-EQ1090854, MSBNK-LCSB-LU087705, MSBNK-Eawag-EQ1090852, MSBNK-Eawag-EQ1090851, MSBNK-Eawag-EQ1090806, MSBNK-Eawag-EQ1090805, MSBNK-Eawag-EQ1090804, MSBNK-Eawag-EQ1090803, MSBNK-Eawag-EQ1090802, MSBNK-Eawag-EQ1090801, MSBNK-Eawag-EQ1090853

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 0.422

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Chemical structure download