chempirical

2,2-Diethoxyacetophenone

C12H16O3CAS 6175-45-7208.26 g/mol

Open in Covalent MOL file
OOO
AcetalEtherKetone

Properties

Molecular formula
C12H16O3
Molar mass
208.26 g/mol
Exact mass
208.1099 Da
Density
1.044 g/mL (at 20 °C)
Boiling point
148.5–150 °C (at 2.2 Torr)
logP
2.27Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
6175-45-7
SMILES
CCOC(OCC)C(=O)c1ccccc1
InChIKey
PIZHFBODNLEQBL-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanone, 2,2-diethoxy-1-phenyl-
  • Glyoxal, phenyl-, 2-(diethyl acetal)
  • Glyoxal, phenyl-, diethyl acetal
  • Acetophenone, 2,2-diethoxy-
  • 2,2-Diethoxy-1-phenylethanone
  • α,α-Diethoxyacetophenone
  • Phenylglyoxal diethyl acetal
  • Diethoxyacetophenone
  • DEAP
  • Genocure DEAP
  • NSC 66180
  • 2,2-Diethoxy-1-phenyl-1-ethanone
  • Firstcure DEAP

Work with 2,2-Diethoxyacetophenone

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

(±)-Benzoin ethyl ether574-09-468 % similar 1,1-Diethoxy-3-phenyl-2-propanone19256-31-656 % similar Eprazinone10402-90-150 % similar Phenylglyoxal1075-06-550 % similar Benzoylcyclopropane3481-02-550 % similar Isobutyrophenone611-70-150 % similar Ethyl benzoate93-89-050 % similar Benzoin isobutyl ether22499-12-348 % similar

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

Same formula

Phenoxyethyl isobutyrate103-60-6 Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-7 4-(Pentyloxy)benzoic acid15872-41-0 2-[4-(1,1-Dimethylethyl)phenoxy]acetic acid1798-04-5 Amyl salicylate2050-08-0 Asarone2883-98-9 4-Butoxybenzeneacetic acid4547-57-3 Elemicin487-11-6

Elsewhere

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