Summary

IMPPAT Phytochemical identifier: IMPHY016313

Phytochemical name: 2,4-Dimethylphenol

Synonymous chemical names:
2,4-dimethylphenol

External chemical identifiers:
CID:7771, ChEMBL:CHEMBL29878, ChEBI:34241, ZINC:ZINC000001672873, FDASRS:5OD803C081, SureChEMBL:SCHEMBL92167, MolPort-001-794-311

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Chemical structure information

SMILES:
Cc1ccc(c(c1)C)O

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

InChIKey:
KUFFULVDNCHOFZ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)C))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: Benzene and substituted derivatives

ClassyFire Subclass: Xylenes

NP-Likeness score: 0.032

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Chemical structure download