Summary

IMPPAT Phytochemical identifier: IMPHY011012

Phytochemical name: 2-Isopropylphenol

Synonymous chemical names:
2-isopropylphenol, phenol,2-isopropyl

External chemical identifiers:
CID:6943, ChEMBL:CHEMBL30018, ChEBI:38506, ZINC:ZINC000001680692, FDASRS:B2899Z0Q2U, SureChEMBL:SCHEMBL43297, MolPort-001-791-597

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Chemical structure information

SMILES:
CC(c1ccccc1O)C

InChI:
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3

InChIKey:
CRBJBYGJVIBWIY-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6O)))))))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: 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: 0.359

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Chemical structure download