Summary

IMPPAT Phytochemical identifier: IMPHY015874

Phytochemical name: 1,2-Diethylbenzene

Synonymous chemical names:
o-diethyl benzene

External chemical identifiers:
CID:8657, ChEMBL:CHEMBL3186870, ZINC:ZINC000002013553, FDASRS:25HOX6T1LU, SureChEMBL:SCHEMBL36294, MolPort-002-499-346

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Chemical structure information

SMILES:
CCc1ccccc1CC

InChI:
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3

InChIKey:
KVNYFPKFSJIPBJ-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6CC

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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

NP-Likeness score: -0.331

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Chemical structure download