Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018239

Phytochemical name: 2-Butyrylfuran

Synonymous chemical names:
2-Butyrylfuran

External chemical identifiers:
CID:CID_228588, ZINC:ZINC000000395098, FDASRS:6S59MOW77W, SureChEMBL:SCHEMBL3506264, Molport-001-767-624

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Chemical structure information

SMILES:
CCCC(=O)c1ccco1

InChI:
InChI=1S/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3

InChIKey:
GONWJZJNVDRECJ-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)cccco5

Functional groups:
coc, cC(C)=O

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: -0.654

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Chemical structure download