chempirical

1-Iodo-2-isopropylbenzene

C9H11ICAS 19099-54-8246.09 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
1.5487 g/mL (at 20 °C)
Boiling point
84–85 °C (at 2 Torr)
logP
3.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
19099-54-8
SMILES
CC(C)c1ccccc1I
InChIKey
SORQIYFSJAWBNQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1-iodo-2-(1-methylethyl)-
  • Cumene, o-iodo-
  • 1-Iodo-2-(1-methylethyl)benzene
  • o-Iodocumene
  • 2-Iodo-1-isopropylbenzene
  • 2-Isopropyliodobenzene
  • 2-Isopropylphenyl iodide
  • 1-Iodo-2-propan-2-ylbenzene
  • 1-Iodo-2-(propan-2-yl)benzene
  • 2-Isopropyl-1-iodobenzene

Work with 1-Iodo-2-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

O-Cymene527-84-456 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-150 % similar 2-Isopropylaniline643-28-748 % similar 2-Isopropylphenol88-69-748 % similar 1,2-Diiodobenzene615-42-948 % similar Propofol2078-54-844 % similar 2,6-Diisopropylaniline24544-04-544 % similar 2-Iodotoluene615-37-244 % similar

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

Same formula

1-Iodo-4-isopropylbenzene17356-09-1 Iodomesitylene4028-63-1

Elsewhere

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