chempirical

(2,4-Dimethoxyphenyl)acetone

C11H14O3CAS 831-29-8194.23 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
1.84Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
831-29-8
SMILES
CC(=O)CC1=C(C=C(C=C1)OC)OC
InChIKey
LDUYRQGNBYKUAG-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)7-11(9)14-3/h4-5,7H,6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2,4-Dimethoxyphenyl)propan-2-one

Work with (2,4-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

2-(2,4-Dimethoxyphenyl)acetic acid6496-89-566 % similar 1-(2-Methoxyphenyl)-2-propanone5211-62-164 % similar 4-Methoxyphenylacetone122-84-958 % similar 3′-Methoxyphenyl-2-propanone3027-13-256 % similar 2,4-Dimethoxybenzylamine20781-20-854 % similar 2,4-Dimethoxybenzyl alcohol7314-44-554 % similar (3,4-Dimethoxyphenyl)acetone776-99-854 % similar N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-053 % 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

PubChem CAS Common Chemistry NIST WebBook