chempirical

1-Iodo-4-isopropylbenzene

C9H11ICAS 17356-09-1246.09 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C9H11I
Molar mass
246.09 g/mol
Exact mass
245.9905 Da
Density
1.5137 g/mL (at 20 °C)
Boiling point
86–92 °C (at NaN Torr)
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
17356-09-1
SMILES
CC(C)c1ccc(I)cc1
InChIKey
PQJOSEVTIKYWLH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11I/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Cumene, p-iodo-
  • 1-Iodo-4-(1-methylethyl)benzene
  • 4-Iodocumene
  • p-Iodocumene
  • 4-Isopropyliodobenzene
  • 4-Isopropylphenyl iodide
  • 4-Iodo-1-isopropylbenzene
  • 4-Iodoisopropylbenzene
  • p-Iodoisopropylbenzene
  • 4-Isopropyl-1-iodobenzene
  • 1-Iodo-4-(propan-2-yl)benzene
  • 1-Iodo-4-propan-2-ylbenzene
  • Benzene, 1-iodo-4-(1-methylethyl)-

Work with 1-Iodo-4-isopropylbenzene

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-Diisopropylbenzene100-18-567 % similar P-Cymene99-87-652 % similar 1-Bromo-4-isopropylbenzene586-61-850 % similar 1,4-Diiodobenzene624-38-450 % similar Cumene98-82-850 % similar 4-Isopropylaniline99-88-750 % similar 4-Isopropylphenol99-89-850 % similar 4-Isopropylbiphenyl7116-95-248 % similar

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

Same formula

1-Iodo-2-isopropylbenzene19099-54-8 Iodomesitylene4028-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook