4-Methoxyphenylacetone

C10H12O2CAS 122-84-9164.20 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.0861 g/mL (at 15 °C)
Melting point
below −15 °C
Boiling point
268 °C
logP
1.83Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 107 ECHA notifiers. Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
122-84-9
SMILES
COc1ccc(CC(C)=O)cc1
InChIKey
WFWKNGZODAOLEO-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

Weigh it out

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

Names and synonyms

18 names · show all
  • 2-Propanone, 1-(p-methoxyphenyl)-
  • 2-Propanone, 1-(4-methoxyphenyl)-
  • 2-Propanone, (p-methoxyphenyl)-
  • 1-(4-Methoxyphenyl)-2-propanone
  • p-Acetonylanisole
  • Anisketone
  • Anisyl methyl ketone
  • 1-(p-Methoxyphenyl)-2-propanone
  • p-Methoxybenzyl methyl ketone
  • 4-Methoxybenzyl methyl ketone
  • p-Methoxyphenylacetone
  • p-Anisylacetone
  • 1-(p-Anisyl)-2-propanone
  • 4′-Methoxyphenyl-2-propanone
  • 1-(4-Methoxyphenyl)acetone
  • NSC 22983
  • NSC 46101
  • 3-(4-Methoxyphenyl)propan-2-one

Work with 4-Methoxyphenylacetone

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

4-(4-Methoxyphenyl)-2-butanone104-20-171 % similar 3′-Methoxyphenyl-2-propanone3027-13-265 % similar (3,4-Dimethoxyphenyl)acetone776-99-862 % similar (4-Methoxyphenyl)acetic acid104-01-861 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-561 % similar Methyl 4-methoxybenzeneacetate23786-14-361 % similar 4-Methoxybenzeneacetyl chloride4693-91-861 % similar (2,4-Dimethoxyphenyl)acetone831-29-858 % 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 2,5-Dimethylbenzeneacetic acid13612-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook