Summary

IMPPAT Phytochemical identifier: IMPHY000550

Phytochemical name: 2-Methylfuran

Synonymous chemical names:
2-methyl furan, 2-methyl-furan, 2-methylfuran, methylfuran

External chemical identifiers:
CID:10797, ChEMBL:CHEMBL1445555, ChEBI:88912, ZINC:ZINC000001666987, FDASRS:51O3BGW3F2, SureChEMBL:SCHEMBL37253, MolPort-019-317-114

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Chemical structure information

SMILES:
Cc1ccco1

InChI:
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

InChIKey:
VQKFNUFAXTZWDK-UHFFFAOYSA-N

DeepSMILES:
Ccccco5

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: -0.711

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Chemical structure download