chempirical

1-(4-Butoxyphenyl)ethanone

C12H16O2CAS 5736-89-0192.26 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
Melting point
25 °C
Boiling point
127–133 °C (at 3 Torr)
logP
3.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
5736-89-0
SMILES
CCCCOc1ccc(C(C)=O)cc1
InChIKey
YYLCJWIQUFHYMY-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3

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

Names and synonyms

6 names
  • Ethanone, 1-(4-butoxyphenyl)-
  • p-Butoxyacetophenone
  • 4′-Butoxyacetophenone
  • NSC 91024
  • 1-(4-Butoxyphenyl)ethan-1-one
  • Acetophenone, 4′-butoxy-

Work with 1-(4-Butoxyphenyl)ethanone

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

1-(4-Ethoxyphenyl)ethanone1676-63-770 % similar 4-Butoxybenzoic acid1498-96-065 % similar 4-Butoxybenzoyl chloride33863-86-465 % similar 1-(4-Butylphenyl)ethanone37920-25-560 % similar 4-(Pentyloxy)benzoic acid15872-41-059 % similar 1-(4-Pentylphenyl)ethanone37593-02-558 % similar 4-(Hexyloxy)benzoic acid1142-39-857 % similar 4-(Heptyloxy)benzoic acid15872-42-157 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

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