chempirical

4-Benzyloxyacetophenone

C15H14O2CAS 54696-05-8226.28 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
Melting point
93 °C
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
54696-05-8
SMILES
CC(=O)c1ccc(OCc2ccccc2)cc1
InChIKey
MKYMYZJJFMPDOA-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-[4-(phenylmethoxy)phenyl]-
  • Acetophenone, 4′-(benzyloxy)-
  • 1-[4-(Phenylmethoxy)phenyl]ethanone
  • p-(Benzyloxy)acetophenone
  • p-(Phenylmethoxy)acetophenone
  • 4-Acetylphenyl benzyl ether
  • 4′-Benzyloxyacetophenone
  • NSC 56945
  • 1-(4-Benzyloxyphenyl)ethanone
  • 1-(4-(Benzyloxy)phenyl)ethan-1-one

Work with 4-Benzyloxyacetophenone

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-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-274 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-070 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-365 % similar 4-(Benzyloxy)benzoic acid1486-51-762 % similar 1-(4-Phenoxyphenyl)ethanone5031-78-762 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-760 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-560 % similar Hydroquinone dibenzyl ether621-91-060 % similar

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

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 P-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4 Methyl α-phenylbenzeneacetate3469-00-9

Elsewhere

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