chempirical

Bis(4-cyanophenyl)methanol

C15H10N2OCAS 134521-16-7234.26 g/mol

Open in Covalent MOL file
NOHN
AlcoholNitrile

Properties

Molecular formula
C15H10N2O
Molar mass
234.26 g/mol
Exact mass
234.0793 Da
Melting point
158–159 °C
logP
2.51Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
134521-16-7
SMILES
N#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1
InChIKey
JNJWXPZHWUOYRZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H

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Names and synonyms

6 names
  • Benzonitrile, 4,4′-(hydroxymethylene)bis-
  • 4,4′-(Hydroxymethylene)bis[benzonitrile]
  • CGP 44645
  • Bis(p-cyanophenyl)methanol
  • 4,4′-Methanolbisbenzonitrile
  • 4-[(4-Cyanophenyl)(hydroxy)methyl]benzonitrile

Work with Bis(4-cyanophenyl)methanol

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-Dicyanobenzene623-26-757 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-650 % similar 4-Cyanophenol767-00-050 % similar Diphenylmethanol91-01-050 % similar Benzonitrile100-47-046 % similar 4-Cyanophenylboronic acid126747-14-645 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-245 % similar 4-Methylbenzonitrile104-85-844 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook