chempirical

3′-Methoxypropiophenone

C10H12O2CAS 37951-49-8164.20 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
2.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
37951-49-8
SMILES
CCC(=O)c1cccc(OC)c1
InChIKey
LPDJHUUWTGXTCU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanone, 1-(3-methoxyphenyl)-
  • 1-(3-Methoxyphenyl)-1-propanone
  • m-Methoxypropiophenone
  • 3-Methoxyphenyl ethyl ketone

Work with 3′-Methoxypropiophenone

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

2-Bromo-3′-methoxyacetophenone5000-65-769 % similar Propioveratrone1835-04-759 % similar 1-(3-Aminophenyl)-1-propanone1197-05-358 % similar 1-(3-Bromophenyl)-1-propanone19829-31-358 % similar 1-(3-Chlorophenyl)-1-propanone34841-35-558 % similar 3-Methoxyacetophenone586-37-858 % similar 3′-Hydroxypropiophenone13103-80-557 % similar 3-Methoxybenzoyl chloride1711-05-357 % 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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