Summary

IMPPAT Phytochemical identifier: IMPHY011557

Phytochemical name: 4-Isopropylbenzyl alcohol

Synonymous chemical names:
cumic alcohol, cumin alcohol, cuminol, cuminyl alcohol, p-cymen-7-ol

External chemical identifiers:
CID:325, ChEMBL:CHEMBL3183500, ChEBI:27628, ZINC:ZINC000000968247, FDASRS:V261W8XR62, SureChEMBL:SCHEMBL113930, MolPort-001-766-696

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Chemical structure information

SMILES:
OCc1ccc(cc1)C(C)C

InChI:
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChIKey:
OIGWAXDAPKFNCQ-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))CC)C

Functional groups:
CO

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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: 0.085

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Chemical structure download