Summary

IMPPAT Phytochemical identifier: IMPHY016821

Phytochemical name: Phenyl propionate

Synonymous chemical names:
phenyl propionate

External chemical identifiers:
CID:12497, ZINC:ZINC000001694849, FDASRS:53G5L84IRZ, SureChEMBL:SCHEMBL45119, MolPort-000-219-472

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Chemical structure information

SMILES:
CCC(=O)Oc1ccccc1

InChI:
InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey:
DYUMLJSJISTVPV-UHFFFAOYSA-N

DeepSMILES:
CCC=O)Occcccc6

Functional groups:
cOC(C)=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: Phenol esters

NP-Likeness score: -0.455

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Chemical structure download