1,1-Diethoxy-3-phenyl-2-propanone

C₁₃H₁₈O₃CAS 19256-31-6222.28 g/mol

Open in Covalent MOL file

Acetal Ether Ketone

Properties

Molecular formula: C₁₃H₁₈O₃
Molar mass: 222.28 g/mol
Exact mass: 222.1256 Da
Density: 1.017 g/mL (at 25 °C)
Boiling point: 107–110 °C (at 0.3 Torr)
logP: 2.20Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Identifiers

CAS number

19256-31-6

SMILES

CCOC(OCC)C(=O)Cc1ccccc1

InChIKey

LFYMGSKZVOVUKZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O3/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

2-Propanone, 1,1-diethoxy-3-phenyl-
Pyruvaldehyde, phenyl-, 1-(diethyl acetal)
Pyruvaldehyde, phenyl-, diethyl acetal
1,1-Diethoxy-3-phenylacetone

Work with 1,1-Diethoxy-3-phenyl-2-propanone

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

3-Methyl-1-phenyl-2-butanone2893-05-256 % similar 2,2-Diethoxyacetophenone6175-45-756 % similar Ethyl phenylacetate101-97-353 % similar [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-746 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-845 % similar 1-Phenyl-2-butanone1007-32-544 % similar (±)-Benzoin ethyl ether574-09-444 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-844 % similar

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

Same formula

Hexyl 4-hydroxybenzoate1083-27-8 4-(Hexyloxy)benzoic acid1142-39-8 3-Hydroxy-1-adamantyl acrylate216581-76-9 3,5-Diisopropylsalicylic acid2215-21-6 Hexyl salicylate6259-76-3

Elsewhere

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