Summary

IMPPAT Phytochemical identifier: IMPHY016298

Phytochemical name: 2,3-Dimethoxytoluene

Synonymous chemical names:
2,3-dimethoxytoluene

External chemical identifiers:
CID:78215, ZINC:ZINC000000388105, SureChEMBL:SCHEMBL134856, MolPort-003-925-911

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Chemical structure information

SMILES:
COc1c(OC)cccc1C

InChI:
InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3

InChIKey:
WMXFNCKPYCAIQW-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6C

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP-Likeness score: -0.211

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Chemical structure download