Summary

IMPPAT Phytochemical identifier: IMPHY016799

Phytochemical name: Benzene, 1-ethyl-4-(1-methylethyl)-

Synonymous chemical names:
p-ethylcumene

External chemical identifiers:
CID:20197, ZINC:ZINC000002038007, SureChEMBL:SCHEMBL139408, MolPort-021-875-607

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Chemical structure information

SMILES:
CCc1ccc(cc1)C(C)C

InChI:
InChI=1S/C11H16/c1-4-10-5-7-11(8-6-10)9(2)3/h5-9H,4H2,1-3H3

InChIKey:
GUUDUUDWUWUTPD-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))CC)C

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.69

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Chemical structure download