Summary

IMPPAT Phytochemical identifier: IMPHY017688

Phytochemical name: 4-Methoxyphenethyl alcohol

Synonymous chemical names:
2-(4-methoxy-phenyl)-ethanol, 2-(4-methoxyphenyl)ethanol, 4-methoxyphenethyl alcohol

External chemical identifiers:
CID:69705, ChEMBL:CHEMBL412890, ZINC:ZINC000000388333, FDASRS:3MWL5NZE9K, SureChEMBL:SCHEMBL77472, MolPort-000-883-061

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Chemical structure information

SMILES:
OCCc1ccc(cc1)OC

InChI:
InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3

InChIKey:
AUWDOZOUJWEPBA-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6))OC

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: Tyrosols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 0.221

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Chemical structure download