chempirical

3-Iodoacetophenone

C8H7IOCAS 14452-30-3246.05 g/mol

Open in Covalent MOL file
OI
Aryl halideKetone

Properties

Molecular formula
C8H7IO
Molar mass
246.05 g/mol
Exact mass
245.9542 Da
Boiling point
117 °C (at 4 Torr)
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
14452-30-3
SMILES
CC(=O)c1cccc(I)c1
InChIKey
IWLHOUBDKCKJJQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(3-iodophenyl)-
  • Acetophenone, 3′-iodo-
  • 1-(3-Iodophenyl)ethanone
  • m-Iodoacetophenone
  • 3′-Iodoacetophenone
  • 3-Acetyl-1-iodobenzene
  • 1-(3-Iodophenyl)ethan-1-one

Work with 3-Iodoacetophenone

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-Diacetylbenzene6781-42-669 % similar 3′-Fluoroacetophenone455-36-758 % similar 3′-Methylacetophenone585-74-058 % similar 1-(3-Chlorophenyl)ethanone99-02-558 % similar 3-Hydroxyacetophenone121-71-156 % similar 3-Iodobenzoyl chloride1711-10-056 % similar 3′-Aminoacetophenone99-03-656 % similar Methyl 3-iodobenzoate618-91-756 % similar

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

Same formula

4-Iodoacetophenone13329-40-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook