Summary

IMPPAT Phytochemical identifier: IMPHY017724

Phytochemical name: 2-Ethyl-5-methylfuran

Synonymous chemical names:
2-ethyl-5-methylfuran, 2-methyl-5-ethylfuran

External chemical identifiers:
CID:74346, ChEBI:88617, ZINC:ZINC000001995224, FDASRS:PG4BLD3EJI, SureChEMBL:SCHEMBL144611, MolPort-006-113-571

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Chemical structure information

SMILES:
CCc1ccc(o1)C

InChI:
InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3

InChIKey:
NBXLPPVOZWYADY-UHFFFAOYSA-N

DeepSMILES:
CCcccco5)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: -1.239

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Chemical structure download