Summary

IMPPAT Phytochemical identifier: IMPHY015984

Phytochemical name: 4-(Ethoxymethyl)-2-methoxyphenol

Synonymous chemical names:
vanillyl ethyl ether

External chemical identifiers:
CID:61586, ZINC:ZINC000001850708, FDASRS:1423UFT5P6, SureChEMBL:SCHEMBL118289, MolPort-006-120-151

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Chemical structure information

SMILES:
CCOCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3

InChIKey:
KOCVACNWDMSLBM-UHFFFAOYSA-N

DeepSMILES:
CCOCcccccc6)OC)))O

Functional groups:
COC, 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: Alkaloids

NP-Likeness score: 0.178

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Chemical structure download