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

C22H20O3CAS 28924-21-2332.40 g/mol

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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

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

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

Names and synonyms

6 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
  • Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-

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)ethan-1-one34068-01-478 % similar 4-Benzyloxyacetophenone54696-05-874 % similar Methyl 3,5-bis(benzyloxy)benzoate58605-10-066 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-363 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-658 % similar 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-058 % similar 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-358 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-4 (R)-(+)-2-Hydroxy-1,2,2-triphenylethyl acetate95061-47-5 (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate95061-51-1

Elsewhere

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