4-(4-Methoxyphenyl)-2-butanone

C₁₁H₁₄O₂CAS 104-20-1178.23 g/mol

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Properties

Molecular formula: C₁₁H₁₄O₂
Molar mass: 178.23 g/mol
Exact mass: 178.0994 Da
Density: 1.0457 g/mL (at 20 °C)
Melting point: 9 °C
Boiling point: 177 °C (at 25 Torr)
logP: 2.22Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

104-20-1

SMILES

COc1ccc(CCC(C)=O)cc1

InChIKey

PCBSXBYCASFXTM-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3

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Names and synonyms

13 names · show all

2-Butanone, 4-(4-methoxyphenyl)-
2-Butanone, 4-(p-methoxyphenyl)-
ENT 20279
1-(p-Methoxyphenyl)-3-butanone
4-(p-Methoxyphenyl)-2-butanone
p-Anisylacetone
1-(4-Methoxyphenyl)-3-butanone
Raspberry ketone methyl ether
4-Methoxybenzylacetone
NSC 405366
Anisylacetone
4-[4-(Methyloxy)phenyl]-2-butanone
4-(4′-Methoxyphenyl)-2-butanone

Work with 4-(4-Methoxyphenyl)-2-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

Nabumetone42924-53-874 % similar 4-Methoxyphenylacetone122-84-971 % similar 4-(P-Acetoxyphenyl)-2-butanone3572-06-365 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-962 % similar Zingerone122-48-559 % similar Benzylacetone2550-26-758 % similar Raspberry ketone5471-51-258 % similar 4-Methoxybenzenebutanoic acid4521-28-254 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7 Ethyl p-tolylacetate14062-19-2

Elsewhere

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