Summary

IMPPAT Phytochemical identifier: IMPHY005257

Phytochemical name: 2-Ethylfuran

Synonymous chemical names:
2-ethyl furan, 2-ethyl-furan, 2-ethylfura, 2-ethylfuran

External chemical identifiers:
CID:18554, ChEMBL:CHEMBL2269084, ChEBI:141565, ZINC:ZINC000002037726, FDASRS:T8O6J71T9O, SureChEMBL:SCHEMBL61113, MolPort-001-769-736

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Chemical structure information

SMILES:
CCc1ccco1

InChI:
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

InChIKey:
HLPIHRDZBHXTFJ-UHFFFAOYSA-N

DeepSMILES:
CCcccco5

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: -0.89

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Chemical structure download