Summary

IMPPAT Phytochemical identifier: IMPHY016135

Phytochemical name: 1-Ethyl-2-methylbenzene

Synonymous chemical names:
1-ethyl-2-methylbenzene

External chemical identifiers:
CID:11903, ChEMBL:CHEMBL364233, ChEBI:34276, ZINC:ZINC000001598717, FDASRS:DBX00873SV, SureChEMBL:SCHEMBL40576, MolPort-003-925-441

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Chemical structure information

SMILES:
CCc1ccccc1C

InChI:
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

InChIKey:
HYFLWBNQFMXCPA-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6C

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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: Toluenes

NP-Likeness score: -0.607

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Chemical structure download