Summary

IMPPAT Phytochemical identifier: IMPHY009472

Phytochemical name: 2,3,5-Trimethylphenol

Synonymous chemical names:
2,3,5-trimethylphenol

External chemical identifiers:
CID:12769, ChEMBL:CHEMBL3182604, ChEBI:38570, ZINC:ZINC000001235982, FDASRS:1S1061ZBQ1, SureChEMBL:SCHEMBL205747, MolPort-001-790-233

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Chemical structure information

SMILES:
Cc1cc(C)c(c(c1)O)C

InChI:
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3

InChIKey:
OGRAOKJKVGDSFR-UHFFFAOYSA-N

DeepSMILES:
CcccC)ccc6)O))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: Phenols

ClassyFire Subclass: Cresols

NP-Likeness score: 0.345

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Chemical structure download