Summary

IMPPAT Phytochemical identifier: IMPHY009744

Phytochemical name: 2-Methoxy-4-propylphenol

Synonymous chemical names:
dihydroeugenol, dihydroeugenol*, guaiacylpropane

External chemical identifiers:
CID:17739, ChEMBL:CHEMBL3186884, ChEBI:167417, ZINC:ZINC000000494255, FDASRS:A3XE712277, SureChEMBL:SCHEMBL267532, MolPort-000-804-101

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Chemical structure information

SMILES:
CCCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3

InChIKey:
PXIKRTCSSLJURC-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6)OC)))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-Likeness score: 0.586

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Chemical structure download