chempirical

3′-Methoxyphenyl-2-propanone

C10H12O2CAS 3027-13-2164.20 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Boiling point
259 °C
logP
1.83Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3027-13-2
SMILES
COc1cccc(CC(C)=O)c1
InChIKey
RMMRRRLPDBJBQL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone, 1-(3-methoxyphenyl)-
  • 2-Propanone, 1-(m-methoxyphenyl)-
  • 2-Propanone, (m-methoxyphenyl)-
  • 1-(3-Methoxyphenyl)-2-propanone
  • (m-Methoxyphenyl)acetone
  • 3-Methoxybenzyl methyl ketone
  • (3-Methoxyphenyl)acetone
  • 1-(m-Methoxyphenyl)-2-propanone
  • 1-(3-Methoxyphenyl)acetone

Work with 3′-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3-Methoxyphenyl)acetic acid1798-09-065 % similar Methyl 3-methoxyphenylacetate18927-05-465 % similar Ethyl 3-methoxybenzeneacetate35553-92-560 % similar (3,4-Dimethoxyphenyl)acetone776-99-859 % similar 1-(3-Chlorophenyl)propan-2-one14123-60-558 % similar 3-Fluorophenylacetone1737-19-558 % similar 1-(3-Bromophenyl)propan-2-one21906-32-157 % similar (2,4-Dimethoxyphenyl)acetone831-29-856 % 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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