chempirical

α-Phenyl-α-(2-phenylethynyl)benzenemethanol

C21H16OCAS 1522-13-0284.36 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C21H16O
Molar mass
284.36 g/mol
Exact mass
284.1201 Da
Melting point
82 °C
logP
3.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1522-13-0
SMILES
OC(C#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
VWRQCJRTHKUVNF-UHFFFAOYSA-N
InChI
InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H

Weigh it out

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

Names and synonyms

9 names
  • Benzenemethanol, α-phenyl-α-(2-phenylethynyl)-
  • 2-Propyn-1-ol, 1,1,3-triphenyl-
  • Benzenemethanol, α-phenyl-α-(phenylethynyl)-
  • 1,1,3-Triphenylpropargyl alcohol
  • 1,1,3-Triphenyl-2-propyn-1-ol
  • 1,1,3-Triphenylpropyn-1-ol
  • Diphenyl(phenylethynyl)methanol
  • NSC 52241
  • 1,1,3-Triphenyl-2-propyne-1-ol

Work with α-Phenyl-α-(2-phenylethynyl)benzenemethanol

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

1,1,4,4-Tetraphenyl-2-butyne-1,4-diol1483-74-571 % similar 1,1-Diphenyl-2-propyn-1-ol3923-52-252 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-044 % similar 3-Phenyl-2-propyn-1-ol1504-58-139 % similar Methylphenylacetylene673-32-538 % similar 1,1-Diphenylethanol599-67-737 % similar 2-Phenyl-2-propanol617-94-737 % similar 2-Phenyl-3-butyn-2-ol127-66-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook