Summary

IMPPAT Phytochemical identifier: IMPHY016455

Phytochemical name: 5-Methoxy-2,3-dimethylphenol

Synonymous chemical names:
5-methoxy-2,3-dimethylphenol

External chemical identifiers:
CID:592450, ZINC:ZINC000003472101, SureChEMBL:SCHEMBL12586702

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Chemical structure information

SMILES:
COc1cc(C)c(c(c1)O)C

InChI:
InChI=1S/C9H12O2/c1-6-4-8(11-3)5-9(10)7(6)2/h4-5,10H,1-3H3

InChIKey:
HVDFMKSCPKILEQ-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6)O))C

Functional groups:
cO, cOC

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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: Methoxyphenols

NP-Likeness score: 0.572

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Chemical structure download