chempirical

1-[3,5-Bis(phenylmethoxy)phenyl]ethanone

C22H20O3CAS 28924-21-2332.40 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C22H20O3
Molar mass
332.40 g/mol
Exact mass
332.1412 Da
Melting point
62 °C
logP
5.05Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Identifiers

CAS number
28924-21-2
SMILES
CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIKey
KOJXGMJOTRYLBD-UHFFFAOYSA-N
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3

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

Names and synonyms

5 names
  • Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-
  • Acetophenone, 3′,5′-bis(benzyloxy)-
  • 3′,5′-Bis(benzyloxy)acetophenone
  • 3′,5′-Dibenzyloxyacetophenone
  • 1-[3,5-Bis(benzyloxy)phenyl]ethanone

Work with 1-[3,5-Bis(phenylmethoxy)phenyl]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-[3-(Phenylmethoxy)phenyl]ethanone34068-01-478 % similar 4-Benzyloxyacetophenone54696-05-874 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-363 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-658 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-052 % similar 1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone14347-05-852 % similar 3,5-Dibenzyloxybenzaldehyde14615-72-651 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-351 % similar

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

Elsewhere

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