chempirical

Benzoin acetate

C16H14O3CAS 574-06-1254.28 g/mol

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OOO
EsterKetone

Properties

Molecular formula
C16H14O3
Molar mass
254.28 g/mol
Exact mass
254.0943 Da
logP
3.17Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

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

Identifiers

CAS number
574-06-1
SMILES
CC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChIKey
QRWAIZJYJNLOPG-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O3/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,16H,1H3

Weigh it out

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

Names and synonyms

7 names
  • (2-Oxo-1,2-diphenylethyl) acetate
  • O-Acetylbenzoin
  • Benzoin, acetate
  • Ethanone, 2-(acetyloxy)-1,2-diphenyl-
  • 2-Oxo-1,2-diphenylethyl acetate
  • (2-Oxo-1,2-diphenyl-ethyl) acetate
  • Acetic acid (2-oxo-1,2-diphenylethyl) ester

Reactions

Work with Benzoin acetate

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

(±)-Benzoin methyl ether3524-62-763 % similar O-Acetylmandeloyl chloride1638-63-762 % similar (-)-O-Acetylmandelic acid51019-43-362 % similar O-Acetylmandelic acid5438-68-662 % similar (+)-O-Acetyl-L-mandelic Acid7322-88-562 % similar Benzoin isopropyl ether6652-28-459 % similar Phenylmethanediol diacetate581-55-559 % similar (±)-Benzoin ethyl ether574-09-458 % 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 1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-4 6-Methoxyflavanone3034-04-6 Fenbufen36330-85-5

Elsewhere

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