chempirical

1-[4-(Phenylmethoxy)phenyl]-1-propanone

C16H16O2CAS 4495-66-3240.30 g/mol

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OO
EtherKetone

Properties

Molecular formula
C16H16O2
Molar mass
240.30 g/mol
Exact mass
240.1150 Da
Melting point
101 °C
logP
3.86Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
4495-66-3
SMILES
CCC(=O)c1ccc(OCc2ccccc2)cc1
InChIKey
IKFGSOJYHVTNDV-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

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Names and synonyms

6 names
  • 1-Propanone, 1-[4-(phenylmethoxy)phenyl]-
  • Propiophenone, 4′-(benzyloxy)-
  • p-Benzyloxypropiophenone
  • 4′-(Benzyloxy)propiophenone
  • NSC 41188
  • 1-(4-Benzyloxyphenyl)propan-1-one

Work with 1-[4-(Phenylmethoxy)phenyl]-1-propanone

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

4-Benzyloxyacetophenone54696-05-865 % similar 4-Benzyloxybenzophenone54589-41-264 % similar Methyl 4-benzyloxybenzoate32122-11-563 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-563 % similar Propiophenone93-55-063 % similar 4-(Benzyloxy)benzoyl chloride1486-50-661 % similar 4-(Benzyloxy)benzoic acid1486-51-761 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-160 % similar

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

Same formula

Phenylethyl phenylacetate102-20-5 4,4'-Dimethylbenzoin1218-89-9 4-(Benzyloxy)-3,5-dimethylbenzaldehyde144896-51-5 Photoanethole15638-14-9 trans-3,5-Dimethoxystilbene21956-56-9 (±)-Benzoin ethyl ether574-09-4 4-(4-N-Propylphenyl)benzoic acid88038-94-2

Elsewhere

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