chempirical

4,4′-Dichlorobenzhydrol

C13H10Cl2OCAS 90-97-1253.12 g/mol

Open in Covalent MOL file
HOClCl
AlcoholAryl halide

Properties

Molecular formula
C13H10Cl2O
Molar mass
253.12 g/mol
Exact mass
252.0109 Da
Melting point
94 °C
logP
4.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
90-97-1
SMILES
OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
PHUYGURFBULKPA-UHFFFAOYSA-N
InChI
InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanol, 4-chloro-α-(4-chlorophenyl)-
  • Benzhydrol, 4,4′-dichloro-
  • 4-Chloro-α-(4-chlorophenyl)benzenemethanol
  • Bis(p-chlorophenyl)methanol
  • DBH
  • p,p′-Dichlorobenzhydrol
  • DBH (degradation product)
  • Bis(4-chlorophenyl)methanol
  • 4,4′-Dichlorodiphenylcarbinol
  • 4,4′-Dichlorobenzhydryl alcohol
  • NSC 121779
  • NSC 5250

Work with 4,4′-Dichlorobenzhydrol

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-Chlorobenzhydrol119-56-282 % similar α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-757 % similar 1-(4-Chlorophenyl)ethanol3391-10-456 % similar 1,4-Dichlorobenzene106-46-750 % similar 4,4'-Bis(dimethylamino)benzhydrol119-58-450 % similar Bis(4-fluorophenyl)methanol365-24-250 % similar Diphenylmethanol91-01-050 % similar Dichlorodiphenyldichloroethane72-54-848 % similar

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

Elsewhere

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