Summary

IMPPAT Phytochemical identifier: IMPHY016326

Phytochemical name: 2,5-Dimethylfuran

Synonymous chemical names:
2,5-dimethylfuran

External chemical identifiers:
CID:12266, ChEMBL:CHEMBL1416448, ChEBI:89052, ZINC:ZINC000001693339, FDASRS:DR5HL9OJ7Y, SureChEMBL:SCHEMBL31103, MolPort-016-633-152

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Chemical structure information

SMILES:
Cc1ccc(o1)C

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

InChIKey:
GSNUFIFRDBKVIE-UHFFFAOYSA-N

DeepSMILES:
Ccccco5)C

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: -0.503

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Chemical structure download