Summary

IMPPAT Phytochemical identifier: IMPHY011031

Phytochemical name: 2-Phenylethyl formate

Synonymous chemical names:
2-phenyl ethyl formate, 2-phenylethyl fomate, 2-phenylethyl formate

External chemical identifiers:
CID:7711, ChEBI:87417, ZINC:ZINC000001597267, FDASRS:3X97A637DJ, SureChEMBL:SCHEMBL26583

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Chemical structure information

SMILES:
O=COCCc1ccccc1

InChI:
InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey:
IKDIJXDZEYHZSD-UHFFFAOYSA-N

DeepSMILES:
O=COCCcccccc6

Functional groups:
COC=O

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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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.4

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Chemical structure download