Summary

IMPPAT Phytochemical identifier: IMPHY016249

Phytochemical name: 2-Methoxy-5-methylphenol

Synonymous chemical names:
2-methoxy-5-methylphenol

External chemical identifiers:
CID:14519, ZINC:ZINC000002039787, FDASRS:AV5V76OU33, SureChEMBL:SCHEMBL218637, MolPort-000-156-827

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Chemical structure information

SMILES:
COc1ccc(cc1O)C

InChI:
InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3

InChIKey:
IFNDEOYXGHGERA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))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: 0.28

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Chemical structure download