Summary

IMPPAT Phytochemical identifier: IMPHY006845

Phytochemical name: 2-Methylnaphthalene

Synonymous chemical names:
2-methyl naphtalene, 2-methyl-naphthalene, 2-methylnaphthalene

External chemical identifiers:
CID:7055, ChEMBL:CHEMBL195895, ChEBI:50720, ZINC:ZINC000001666853, FDASRS:S8MCX3C16H, SureChEMBL:SCHEMBL36453, MolPort-001-785-980

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Chemical structure information

SMILES:
Cc1ccc2c(c1)cccc2

InChI:
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

InChIKey:
QIMMUPPBPVKWKM-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)cccc6

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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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: -0.617

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Chemical structure download