Propioveratrone

C₁₁H₁₄O₃CAS 1835-04-7194.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄O₃
Molar mass: 194.23 g/mol
Exact mass: 194.0943 Da
Melting point: 59–60 °C
Boiling point: 168–170 °C (at 13 Torr)
logP: 2.30Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

1835-04-7

SMILES

CCC(=O)c1ccc(OC)c(OC)c1

InChIKey

SBMSBQOMJGZBRY-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3

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

Names and synonyms

9 names

1-Propanone, 1-(3,4-dimethoxyphenyl)-
Propiophenone, 3′,4′-dimethoxy-
1-(3,4-Dimethoxyphenyl)-1-propanone
3,4-Dimethoxypropiophenone
3′,4′-Dimethoxypropiophenone
3,4-Dimethoxyphenyl ethyl ketone
Ethyl 3,4-dimethoxyphenyl ketone
NSC 16954
1,2-Dimethoxy-4-propionylbenzene

Work with Propioveratrone

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

Propiovanillone1835-14-972 % similar 3,4-Methylenedioxypropiophenone28281-49-466 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-162 % similar 3′-Methoxypropiophenone37951-49-859 % similar 1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-558 % similar 3,4-Dimethoxyacetophenone1131-62-057 % similar Methyl 3,4-dimethoxybenzoate2150-38-156 % similar 1-(3,4-Difluorophenyl)-1-propanone23384-72-756 % 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 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

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