chempirical

1-(2,6-Dimethoxyphenyl)ethanone

C10H12O3CAS 2040-04-2180.20 g/mol

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OOO
EtherKetone

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
73–74 °C
Boiling point
135–136 °C
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2040-04-2
SMILES
COc1cccc(OC)c1C(C)=O
InChIKey
XEUGKOFTNAYMMX-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3

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Names and synonyms

5 names
  • Ethanone, 1-(2,6-dimethoxyphenyl)-
  • Acetophenone, 2′,6′-dimethoxy-
  • Acetophenone, 2,6-dimethoxy-
  • 2′,6′-Dimethoxyacetophenone
  • 1-(2,6-Dimethoxyphenyl)ethan-1-one

Work with 1-(2,6-Dimethoxyphenyl)ethanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Hydroxy-6-methoxyphenyl)ethanone703-23-174 % similar 2′-Methoxyacetophenone579-74-863 % similar 2,6-Dimethoxybenzoic acid1466-76-858 % similar 2,6-Dimethoxybenzoyl chloride1989-53-358 % similar Methyl 2,6-dimethoxybenzoate2065-27-258 % similar 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-953 % similar 2′,3′,4′-Trimethoxyacetophenone13909-73-450 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-350 % 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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