Summary

IMPPAT Phytochemical identifier: IMPHY015190

Phytochemical name: 1H-Indene, 3-ethyl-1-(1-methylethyl)-

Synonymous chemical names:
1h-indene,3-ethyl-1-(1-methylethyl)

External chemical identifiers:
CID:588702

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Chemical structure information

SMILES:
CCC1=CC(c2c1cccc2)C(C)C

InChI:
InChI=1S/C14H18/c1-4-11-9-14(10(2)3)13-8-6-5-7-12(11)13/h5-10,14H,4H2,1-3H3

InChIKey:
IXYXDNSLNZZOOZ-UHFFFAOYSA-N

DeepSMILES:
CCC=CCcc5cccc6))))))CC)C

Functional groups:
cC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indenes and isoindenes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.709

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Chemical structure download