chempirical

4-Hydroxy-4′-iodobiphenyl

C12H9IOCAS 29558-78-9296.11 g/mol

Open in Covalent MOL file
HOI
Aryl halidePhenol

Properties

Molecular formula
C12H9IO
Molar mass
296.11 g/mol
Exact mass
295.9698 Da
Melting point
194 °C
logP
3.66Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
29558-78-9
SMILES
Oc1ccc(-c2ccc(I)cc2)cc1
InChIKey
WJXIAMCDWSUSEI-UHFFFAOYSA-N
InChI
InChI=1S/C12H9IO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

Weigh it out

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

Names and synonyms

5 names
  • [1,1′-Biphenyl]-4-ol, 4′-iodo-
  • 4-Biphenylol, 4′-iodo-
  • 4′-Iodo[1,1′-biphenyl]-4-ol
  • 4′-Iodo-4-biphenylol
  • 4′-Iodo-1,1′-biphenyl-4-ol

Work with 4-Hydroxy-4′-iodobiphenyl

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

4,4′-Diiodo-1,1′-biphenyl3001-15-867 % similar 4,4'-Biphenol92-88-667 % similar 4-Bromo-4'-iodobiphenyl105946-82-557 % similar 4-Iodobiphenyl1591-31-755 % similar 4-Phenylphenol92-69-355 % similar 4-Bromo-4′-hydroxybiphenyl29558-77-852 % similar Hydroquinone123-31-950 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-750 % similar

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

Elsewhere

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