1-(2-Furanyl)-1,3-butanedione

C₈H₈O₃CAS 25790-35-6152.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
Boiling point: 110–115 °C (at 15 Torr)
logP: 1.44Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

25790-35-6

SMILES

CC(=O)CC(=O)c1ccco1

InChIKey

GPYKJDYMMUIUFG-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1,3-Butanedione, 1-(2-furanyl)-
1,3-Butanedione, 1-(2-furyl)-
2-Furoylacetone
1-(2-Furyl)-1,3-butanedione
2-(1,3-Dioxobutyl)furan
1-(Furan-2-yl)-1,3-dioxobutane

Work with 1-(2-Furanyl)-1,3-butanedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione326-90-955 % similar Benzoylacetone93-91-453 % similar 2-Hexanoylfuran14360-50-053 % similar 2-Acetylfuran1192-62-752 % similar 2-Furoic acid88-14-247 % similar Alpha-furil492-94-447 % similar Ethyl 2-furoate614-99-344 % similar Methyl 2-thiofuroate13679-61-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

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