Summary

IMPPAT Phytochemical identifier: IMPHY004687

Phytochemical name: 2,3,5-Trimethylfuran

Synonymous chemical names:
2,3,5-trimethyl furan, 2,3,5-trimethylfuran

External chemical identifiers:
CID:517859, ZINC:ZINC000002518855, SureChEMBL:SCHEMBL182910, MolPort-002-498-112

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Chemical structure information

SMILES:
Cc1oc(c(c1)C)C

InChI:
InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3

InChIKey:
NJXZFRUNHWKHEC-UHFFFAOYSA-N

DeepSMILES:
Ccoccc5)C))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-Likeness score: -0.547

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Chemical structure download