chempirical

4-Acetylphenyl ether

C16H14O3CAS 2615-11-4254.28 g/mol

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OOO
EtherKetone

Properties

Molecular formula
C16H14O3
Molar mass
254.28 g/mol
Exact mass
254.0943 Da
Melting point
100–101 °C
Boiling point
213–217 °C (at NaN Torr)
logP
3.88Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
2615-11-4
SMILES
CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIKey
GZRGHDIUPMPHCB-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,1′-(Oxydi-4,1-phenylene)bis[ethanone]
  • Ethanone, 1,1′-(oxydi-4,1-phenylene)bis-
  • Acetophenone, 4′,4′′′-oxydi-
  • 4,4′-Diacetyldiphenyl oxide
  • p,p′-Diacetyldiphenyl ether
  • Bis(p-acetylphenyl) ether
  • Bis(4-acetylphenyl) ether
  • 4,4′-Diacetyldiphenyl ether
  • 4,4′-Oxydiacetophenone
  • 4,4′-Oxybis(acetophenone)
  • NSC 214
  • 1-[4-(4-Acetylphenoxy)phenyl]ethanone
  • 1-[4-(4-Acetylphenoxy)phenyl]ethan-1-one

Work with 4-Acetylphenyl ether

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-(4-Phenoxyphenyl)ethanone5031-78-784 % similar 4-Acetyl-4'-methoxydiphenyl ether54916-28-881 % similar 1,4-Diacetylbenzene1009-61-671 % similar Acetanisole100-06-169 % similar 4-Acetyl-4'-nitrodiphenyl ether75919-92-566 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-164 % similar 4,4'-Diacetylbiphenyl787-69-963 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-762 % similar

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

Same formula

Ketoprofen22071-15-4 (+)-Ketoprofen22161-81-5 4-Allyloxy-2-hydroxybenzophenone2549-87-3 6-Methoxyflavanone3034-04-6 Fenbufen36330-85-5 Benzoin acetate574-06-1

Elsewhere

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