Summary

IMPPAT Phytochemical identifier: IMPHY009876

Phytochemical name: 1,4-Diethylbenzene

Synonymous chemical names:
1,4-diethylbenzene, p-diethyl benzene, p-diethylbenzene

External chemical identifiers:
CID:7734, ChEMBL:CHEMBL3187283, ChEBI:34062, ZINC:ZINC000002013555, FDASRS:0PSM16X42D, SureChEMBL:SCHEMBL36295, MolPort-003-929-977

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Chemical structure information

SMILES:
CCc1ccc(cc1)CC

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

InChIKey:
DSNHSQKRULAAEI-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))CC

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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: -0.476

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Chemical structure download