Summary

IMPPAT Phytochemical identifier: IMPHY015875

Phytochemical name: o-Isopropylphenetole

Synonymous chemical names:
o-isopropylphenetole

External chemical identifiers:
CID:590994, ZINC:ZINC000032189972, SureChEMBL:SCHEMBL254754

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Chemical structure information

SMILES:
CCOc1ccccc1C(C)C

InChI:
InChI=1S/C11H16O/c1-4-12-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3

InChIKey:
ALMWXJNJADEHOT-UHFFFAOYSA-N

DeepSMILES:
CCOcccccc6CC)C

Functional groups:
cOC

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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: Cumenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.879

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Chemical structure download