Summary

IMPPAT Phytochemical identifier: IMPHY002888

Phytochemical name: 4-Fluoro-2-methoxyphenol

Synonymous chemical names:
f-apocynin

External chemical identifiers:
CID:2737368, ZINC:ZINC000000403476, SureChEMBL:SCHEMBL1331704, MolPort-000-165-923

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Chemical structure information

SMILES:
COc1cc(F)ccc1O

InChI:
InChI=1S/C7H7FO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3

InChIKey:
OULGLTLTWBZBLO-UHFFFAOYSA-N

DeepSMILES:
COcccF)ccc6O

Functional groups:
cF, 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: -0.368

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Chemical structure download