chempirical

1-(4-Methoxyphenyl)-1-butanone

C11H14O2CAS 4160-51-4178.23 g/mol

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EtherKetone

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Density
1.0339 g/mL (at 40 °C)
Melting point
21–22 °C
Boiling point
158–159 °C (at 19 Torr)
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
4160-51-4
SMILES
CCCC(=O)c1ccc(OC)cc1
InChIKey
JLCDSZXBELPBRD-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Butanone, 1-(4-methoxyphenyl)-
  • Butyrophenone, 4′-methoxy-
  • p-Methoxybutyrophenone
  • 4-Methoxybutyrophenone
  • 4′-Methoxybutyrophenone
  • 4-Butanoylanisole
  • Propyl p-anisyl ketone
  • Propyl 4-methoxyphenyl ketone
  • NSC 5615
  • 1-Butyryl-4-methoxybenzene

Work with 1-(4-Methoxyphenyl)-1-butanone

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

Butyl 4-methoxyphenyl ketone1671-76-781 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-169 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-464 % similar 4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-864 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-562 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-862 % similar 4-Methoxyphenacyl bromide2632-13-562 % similar 2-Hydroxy-1-(4-methoxyphenyl)ethanone4136-21-462 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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