Summary

IMPPAT Phytochemical identifier: IMPHY013794

Phytochemical name: 2-Butylfuran

Synonymous chemical names:
2-butylfuran, 2-n -butyl furan, 2-n-butyl furan

External chemical identifiers:
CID:20534, ChEBI:89750, ZINC:ZINC000002037803, FDASRS:81JV9ZYK0D, SureChEMBL:SCHEMBL256700, MolPort-001-767-623

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Chemical structure information

SMILES:
CCCCc1ccco1

InChI:
InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

InChIKey:
NWZIYQNUCXUJJJ-UHFFFAOYSA-N

DeepSMILES:
CCCCcccco5

Functional groups:
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: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.671

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Chemical structure download