Summary

IMPPAT Phytochemical identifier: IMPHY009847

Phytochemical name: 2-(3-Methylphenyl)propan-2-ol

Synonymous chemical names:
m-cymen-8-ol, m-cymenol

External chemical identifiers:
CID:255195, ZINC:ZINC000001596591, SureChEMBL:SCHEMBL2538414

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Chemical structure information

SMILES:
Cc1cccc(c1)C(O)(C)C

InChI:
InChI=1S/C10H14O/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3

InChIKey:
NARIBLVZTLPQJB-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)CO)C)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: Phenylpropanes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: -0.153

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Chemical structure download