Summary

IMPPAT Phytochemical identifier: IMPHY011409

Phytochemical name: Guaiacol

Synonymous chemical names:
2-methoxy phenol, 2-methoxy-phenol, 2-methoxyphenol, guaiacol, guaicol, guiacol, methoxyphenol

External chemical identifiers:
CID:460, ChEMBL:CHEMBL13766, ChEBI:28591, ZINC:ZINC000013512224, FDASRS:6JKA7MAH9C, SureChEMBL:SCHEMBL21626, MolPort-000-871-969

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Chemical structure information

SMILES:
COc1ccccc1O

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

InChIKey:
LHGVFZTZFXWLCP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O

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 Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.504

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Chemical structure download