chempirical

1-(2,5-Dimethoxyphenyl)-1-propanone

C11H14O3CAS 5803-30-5194.23 g/mol

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EtherKetone

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Boiling point
167–169 °C (at 13 Torr)
logP
2.30Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
5803-30-5
SMILES
CCC(=O)c1cc(OC)ccc1OC
InChIKey
DKVCHMQHUMLKPO-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-4-10(12)9-7-8(13-2)5-6-11(9)14-3/h5-7H,4H2,1-3H3

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Names and synonyms

4 names
  • 1-Propanone, 1-(2,5-dimethoxyphenyl)-
  • Propiophenone, 2′,5′-dimethoxy-
  • 2′,5′-Dimethoxypropiophenone
  • 1-(2,5-Dimethoxyphenyl)propanone

Work with 1-(2,5-Dimethoxyphenyl)-1-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

2-Bromo-2′,5′-dimethoxyacetophenone1204-21-370 % similar 2′,5′-Dimethoxyacetophenone1201-38-359 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-158 % similar 2,5-Dimethoxybenzoyl chloride17918-14-858 % similar 2,5-Dimethoxybenzoic acid2785-98-058 % similar 3′-Methoxypropiophenone37951-49-856 % similar 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-654 % similar 6-Methoxy-1-indanone13623-25-153 % 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 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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