chempirical

3-Acetyl-2,4-dimethylfuran

C8H10O2CAS 32933-07-6138.17 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C8H10O2
Molar mass
138.17 g/mol
Exact mass
138.0681 Da
logP
2.10Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
32933-07-6
SMILES
CC1=COC(=C1C(=O)C)C
InChIKey
LNBHNHANEHGMAQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-5-4-10-7(3)8(5)6(2)9/h4H,1-3H3

Weigh it out

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Names and synonyms

8 names
  • 1-(2,4-Dimethylfuran-3-yl)ethanone
  • 1-(2,4-Dimethylfuran-3-yl)ethan-1-one
  • 1-(2,4-Dimethyl-furan-3-yl)-ethanone
  • 1-(2,4-Dimethyl-3-furyl)ethanone
  • Ethanone,1-(2,4-dimethyl-3-furanyl)-
  • 2,4-Dimethyl-3-acetylfuran
  • 1-(2,4-Dimethyl-3-furyl)-1-ethanone
  • Ethanone, 1-(2,4-dimethyl-3-furanyl)-

Reactions

Work with 3-Acetyl-2,4-dimethylfuran

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

2′,4′,6′-Trimethylacetophenone1667-01-247 % similar 2′,4′,6′-Trimethylacetophenone51885-97-347 % similar 1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone2386-25-643 % similar 3,5-Dihydroxy-4-acetyltoluene1634-34-040 % similar 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-940 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-539 % similar 2′-Methylacetophenone577-16-238 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-438 % similar

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

Same formula

Anisyl alcohol105-13-5 1-(5-Methyl-2-furanyl)-1-propanone10599-69-6 3-Acetyl-2,5-dimethylfuran10599-70-9 4-Ethyl-1,2-benzenediol1124-39-6 2-Methoxy-5-methylphenol1195-09-1 5-Norbornene-2-carboxylic acid120-74-1 Phenoxyethanol122-99-6 3-Hydroxybenzeneethanol13398-94-2

Elsewhere

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