Summary

IMPPAT Phytochemical identifier: IMPHY017921

Phytochemical name: Butyl furyl ketone

Synonymous chemical names:
butyl furyl ketone

Chemical structure information

SMILES:
CCCCC(=O)c1ccco1

InChI:
InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3

InChIKey:
HTOZHTBIOGGHDJ-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)cccco5

Functional groups:
cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: -0.669

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Chemical structure download