Summary

IMPPAT Phytochemical identifier: IMPHY017449

Phytochemical name: Phenyl 5-methoxypentanoate

Synonymous chemical names:
pentanoic acid 5-methoxy,phenyl ester

External chemical identifiers:
CID:542162

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Chemical structure information

SMILES:
COCCCCC(=O)Oc1ccccc1

InChI:
InChI=1S/C12H16O3/c1-14-10-6-5-9-12(13)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

InChIKey:
WOQCDQYSIFZYHL-UHFFFAOYSA-N

DeepSMILES:
COCCCCC=O)Occcccc6

Functional groups:
COC, 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: -0.379

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Chemical structure download