chempirical

1-[4-(Acetyloxy)phenyl]ethanone

C10H10O3CAS 13031-43-1178.19 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
53 °C
Boiling point
157–162 °C (at 13 Torr)
logP
1.81Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
13031-43-1
SMILES
CC(=O)Oc1ccc(C(C)=O)cc1
InChIKey
SMIOEQSLJNNKQF-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3

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Names and synonyms

8 names
  • Ethanone, 1-[4-(acetyloxy)phenyl]-
  • Acetophenone, 4′-hydroxy-, acetate
  • p-Acetoxyacetophenone
  • p-Acetylphenyl acetate
  • 4′-Acetoxyacetophenone
  • 4-Acetoxyacetophenone
  • 4-Acetylphenyl acetate
  • NSC 41974

Work with 1-[4-(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

Hydroquinone diacetate1205-91-072 % similar 1-[3,5-Bis(acetyloxy)phenyl]ethanone35086-59-067 % similar 1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-464 % similar 4,4'-Diacetoxybiphenyl32604-29-864 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-564 % similar p-Acetoxybenzoic acid2345-34-863 % similar Methyl 4-acetoxybenzoate24262-66-661 % similar Dienestrol diacetate84-19-561 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3

Elsewhere

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