chempirical

1-(3-(Phenylmethoxy)phenyl)ethan-1-one

C15H14O2CAS 34068-01-4226.27 g/mol

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OO
EtherKetone

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
Melting point
29–30 °C
Boiling point
165–170 °C (at 0.5 Torr)
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
34068-01-4
SMILES
CC(=O)c1cccc(OCc2ccccc2)c1
InChIKey
FGQMEAWGAUALJQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3

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Names and synonyms

10 names
  • 1-[3-(Phenylmethoxy)phenyl]ethanone
  • Ethanone, 1-[3-(phenylmethoxy)phenyl]-
  • Acetophenone, 3′-(benzyloxy)-
  • 3′-(Benzyloxy)acetophenone
  • m-Benzyloxyacetophenone
  • 3-Benzyloxyacetophenone
  • 1-(3-Phenylmethoxyphenyl)ethanone
  • 1-[3-(Benzyloxy)phenyl]ethanone
  • NSC 159118
  • 1-[3-(Benzyloxy)phenyl]ethan-1-one

Work with 1-(3-(Phenylmethoxy)phenyl)ethan-1-one

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]ethanone28924-21-278 % similar 4-Benzyloxyacetophenone54696-05-870 % similar 1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-466 % similar 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-063 % similar 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-363 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-659 % similar 1,3-Dibenzyloxybenzene3769-42-459 % similar 3-Methoxyacetophenone586-37-858 % 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-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

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