chempirical

3′,5′-Dimethoxyacetophenone

C10H12O3CAS 39151-19-4180.20 g/mol

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EtherKetone

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
42–43 °C
Boiling point
151–152 °C (at 10 Torr)
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
39151-19-4
SMILES
COc1cc(OC)cc(C(C)=O)c1
InChIKey
YJKHOUIVWKQRSL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3

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Names and synonyms

7 names
  • Ethanone, 1-(3,5-dimethoxyphenyl)-
  • Acetophenone, 3′,5′-dimethoxy-
  • 1-(3,5-Dimethoxyphenyl)ethanone
  • 3,5-Dimethoxyacetophenone
  • NSC 46884
  • 3,5-Dimethoxy-1-acetylbenzene
  • 3,5-Dimethoxyphenyl methyl ketone

Work with 3′,5′-Dimethoxyacetophenone

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

3-Methoxyacetophenone586-37-867 % similar Acetanisole100-06-164 % similar 3′,4′,5′-Trimethoxyacetophenone1136-86-360 % similar 1-[3,5-Bis(acetyloxy)phenyl]ethanone35086-59-060 % similar 3,5-Dimethoxybenzoic acid1132-21-457 % similar 3,5-Dimethoxybenzoyl chloride17213-57-957 % similar Methyl 3,5-dimethoxybenzoate2150-37-057 % similar Acetosyringone2478-38-856 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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