chempirical

4′-Phenoxyacetophenone

C14H12O2CAS 5031-78-7212.25 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
49 °C
Boiling point
190–195 °C (at 13 Torr)
logP
3.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5031-78-7
SMILES
CC(=O)c1ccc(Oc2ccccc2)cc1
InChIKey
DJNIFZYQFLFGDT-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 4'-Phenoxyacetophenone
  • 1-(4-Phenoxyphenyl)ethanone
  • Ethanone, 1-(4-phenoxyphenyl)-
  • Acetophenone, 4′-phenoxy-
  • 4-Acetyldiphenyl ether
  • 4-Acetylphenyl phenyl ether
  • p-Phenoxyacetophenone
  • 4-Acetyldiphenyl oxide
  • 1,2-(4-Acetylphenoxy)benzene
  • NSC 39658
  • 1-(4-Phenoxyphenyl)ethan-1-one

Work with 4′-Phenoxyacetophenone

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-Acetylphenyl ether2615-11-484 % similar 4-Acetyl-4'-methoxydiphenyl ether54916-28-870 % similar Acetophenone98-86-265 % similar 4,4'-Diphenoxybenzophenone14984-21-562 % similar 4-Acetylbiphenyl92-91-162 % similar 4-Benzyloxyacetophenone54696-05-862 % similar Acetanisole100-06-160 % similar 1,4-Diacetylbenzene1009-61-660 % similar

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

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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