Summary

IMPPAT Phytochemical identifier: IMPHY017743

Phytochemical name: 2-(3-Methoxyphenyl)ethanol

Synonymous chemical names:
3-methoxyphenylethyl alcohol

External chemical identifiers:
CID:78724, ZINC:ZINC000000391186, SureChEMBL:SCHEMBL43521, MolPort-001-791-426

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Chemical structure information

SMILES:
OCCc1cccc(c1)OC

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

InChIKey:
UPPGEJSCUZMCMW-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: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 0.034

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Chemical structure download