Summary

IMPPAT Phytochemical identifier: IMPHY017559

Phytochemical name: 4-Methoxybenzyl formate

Synonymous chemical names:
p-anisyl formate

External chemical identifiers:
CID:61054, ChEMBL:CHEMBL3188181, ChEBI:173752, ZINC:ZINC000001687335, FDASRS:7N0ADO5BXI, SureChEMBL:SCHEMBL6342, MolPort-003-909-352

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Chemical structure information

SMILES:
COc1ccc(cc1)COC=O

InChI:
InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3

InChIKey:
XPDORSROGAZEGY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))COC=O

Functional groups:
COC=O, 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: Benzene and substituted derivatives

ClassyFire Subclass: Benzyloxycarbonyls

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.379

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Chemical structure download