Summary

IMPPAT Phytochemical identifier: IMPHY001785

Phytochemical name: 2,6-Dimethylnaphthalene

Synonymous chemical names:
2,6-dimethyl-naphthalene, 2,6-dimethylnaphthalene

External chemical identifiers:
CID:11387, ChEMBL:CHEMBL194983, ChEBI:34251, ZINC:ZINC000001669605, FDASRS:76U29QW3FM, SureChEMBL:SCHEMBL308248, MolPort-001-793-644

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Chemical structure information

SMILES:
Cc1ccc2c(c1)ccc(c2)C

InChI:
InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3

InChIKey:
YGYNBBAUIYTWBF-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)cccc6)C

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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-Likeness score: -0.393

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Chemical structure download