chempirical

1-Iodo-2,4-dimethoxybenzene

C8H9IO2CAS 20469-63-0264.06 g/mol

Open in Covalent MOL file
OIO
Aryl halideEther

Properties

Molecular formula
C8H9IO2
Molar mass
264.06 g/mol
Exact mass
263.9647 Da
Melting point
40 °C
Boiling point
163 °C (at 14 Torr)
logP
2.31Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
20469-63-0
SMILES
COc1ccc(I)c(OC)c1
InChIKey
ZDUYJCKEORTAQE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3

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Names and synonyms

6 names
  • Benzene, 1-iodo-2,4-dimethoxy-
  • 2,4-Dimethoxyiodobenzene
  • 2,4-Dimethoxyphenyl iodide
  • 1,3-Dimethoxy-4-iodobenzene
  • NSC 89774
  • 2-Iodo-1,5-dimethoxybenzene

Work with 1-Iodo-2,4-dimethoxybenzene

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

1,2,4-Trimethoxybenzene135-77-362 % similar 2,5-Dimethoxytoluene24599-58-455 % similar 2,4-Dimethoxyaniline2735-04-855 % similar 2-Iodoanisole529-28-254 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-453 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-753 % similar 2,5-Dimethoxyaniline102-56-750 % similar 2,4-Dimethoxybenzaldehyde613-45-648 % similar

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

Elsewhere

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