chempirical

1-(2-Methoxyphenyl)-2-propanone

C10H12O2CAS 5211-62-1164.20 g/mol

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OO
EtherKetone

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Boiling point
127–130 °C (at 10 Torr)
logP
1.83Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
5211-62-1
SMILES
COc1ccccc1CC(C)=O
InChIKey
GMBFNZCPZFVKAT-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3

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Names and synonyms

9 names
  • 2-Propanone, 1-(o-methoxyphenyl)-
  • 2-Propanone, 1-(2-methoxyphenyl)-
  • 2-Propanone, (o-methoxyphenyl)-
  • 1-(o-Methoxyphenyl)-2-propanone
  • o-Methoxyphenyl-2-propanone
  • (2-Methoxyphenyl)acetone
  • 1-(2-Anisyl)-2-propanone
  • 2′-Methoxyphenyl-2-propanone
  • (o-Methoxyphenyl)acetone

Reactions

Work with 1-(2-Methoxyphenyl)-2-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

Methyl 2-methoxybenzeneacetate27798-60-363 % similar 2-Methoxyphenylacetic acid93-25-463 % similar 1-(2-Fluorophenyl)-2-propanone2836-82-054 % similar (3,4-Dimethoxyphenyl)acetone776-99-854 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-451 % similar 2-Methoxybenzyl alcohol612-16-850 % similar 2-Methoxybenzylamine6850-57-350 % similar 2-Methoxybenzyl chloride7035-02-150 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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