chempirical

1-[3-(Acetyloxy)phenyl]ethanone

C10H10O3CAS 2454-35-5178.19 g/mol

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EsterKetone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
44–44.5 °C
Boiling point
147 °C (at 9 Torr)
logP
1.81Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
2454-35-5
SMILES
CC(=O)Oc1cccc(C(C)=O)c1
InChIKey
OTHYPAMNTUGKDK-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3

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Names and synonyms

6 names
  • Ethanone, 1-[3-(acetyloxy)phenyl]-
  • Acetophenone, 3′-hydroxy-, acetate
  • m-Acetylphenyl acetate
  • 3′-Acetoxyacetophenone
  • 3-Acetylphenyl acetate
  • NSC 174054

Work with 1-[3-(Acetyloxy)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

1,3-Dihydroxybenzene diacetate108-58-770 % similar 1-[3,5-Bis(acetyloxy)phenyl]ethanone35086-59-069 % similar 3-(Acetyloxy)benzoic acid6304-89-867 % similar 3-Methoxyacetophenone586-37-865 % similar 3-Methylphenyl acetate122-46-360 % similar 1,3-Diacetylbenzene6781-42-660 % similar 3-Fluorophenyl acetate701-83-760 % similar Acetylresorcinol102-29-458 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1 Calone28940-11-6

Elsewhere

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