Summary

IMPPAT Phytochemical identifier: IMPHY009893

Phytochemical name: 4-Methoxyphenol

Synonymous chemical names:
4-methoxyphenol, p-guaiacol

External chemical identifiers:
CID:9015, ChEMBL:CHEMBL544, ChEBI:69441, ZINC:ZINC000000001684, FDASRS:6HT8U7K3AM, SureChEMBL:SCHEMBL21009, MolPort-000-145-974

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Chemical structure information

SMILES:
COc1ccc(cc1)O

InChI:
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey:
NWVVVBRKAWDGAB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))O

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 Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.371

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Chemical structure download