1-(2,5-Bis(benzyloxy)phenyl)ethanone

C22H20O3CAS 21766-81-4332.40 g/mol

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EtherKetone

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
21766-81-4
SMILES
CC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChIKey
UQJUOEWQZNRLJJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H20O3/c1-17(23)21-14-20(24-15-18-8-4-2-5-9-18)12-13-22(21)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3

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Names and synonyms

1 names
  • 1-[2,5-Bis(benzyloxy)phenyl]ethan-1-one

Work with 1-(2,5-Bis(benzyloxy)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-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-371 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-071 % similar 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-067 % similar 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-466 % similar 4-Benzyloxyacetophenone54696-05-863 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-660 % similar 1-[2-Amino-5-methoxy-4-(phenylmethoxy)phenyl]ethanone75665-73-557 % similar 8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one869478-09-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-2 (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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