chempirical

(3,4-Dimethoxyphenyl)acetone

C11H14O3CAS 776-99-8194.23 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
136–139 °C
Boiling point
198 °C (at 20 Torr)
logP
1.84Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
776-99-8
SMILES
COc1ccc(CC(C)=O)cc1OC
InChIKey
UMYZWICEDUEWIM-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3

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

Names and synonyms

7 names
  • 2-Propanone, 1-(3,4-dimethoxyphenyl)-
  • 2-Propanone, (3,4-dimethoxyphenyl)-
  • 1-(3,4-Dimethoxyphenyl)-2-propanone
  • 3,4-Dimethoxybenzyl methyl ketone
  • NSC 16700
  • Veratryl acetone
  • 1-(3,4-Dimethoxyphenyl)acetone

Work with (3,4-Dimethoxyphenyl)acetone

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

Guaiacylacetone2503-46-072 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-566 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-364 % similar 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-563 % similar 4-Methoxyphenylacetone122-84-962 % similar 3′-Methoxyphenyl-2-propanone3027-13-259 % similar Ethyl 3,4-dimethoxybenzeneacetate18066-68-759 % similar 1-(2-Methoxyphenyl)-2-propanone5211-62-154 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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