Summary

IMPPAT Phytochemical identifier: IMPHY006975

Phytochemical name: 3,5-Dimethylphenol

Synonymous chemical names:
3,5-dimethylphenol

External chemical identifiers:
CID:7948, ChEMBL:CHEMBL191740, ChEBI:38572, ZINC:ZINC000001699887, FDASRS:ONA760G0WA, SureChEMBL:SCHEMBL28714, MolPort-001-791-604

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Chemical structure information

SMILES:
Cc1cc(C)cc(c1)O

InChI:
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

InChIKey:
TUAMRELNJMMDMT-UHFFFAOYSA-N

DeepSMILES:
CcccC)ccc6)O

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: 0.535

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Chemical structure download