1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol

C20H15NO — CID 102477720

IUPAC1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO/c22-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)15-14-19-13-7-8-16-21-19/h1-13,16,22H
InChIKeyCBNOUARVFSJYSK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.37
Rot. Bonds2

About 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol

1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol (PubChem CID 102477720) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
PubChem CID102477720
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO/c22-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)15-14-19-13-7-8-16-21-19/h1-13,16,22H
InChIKeyCBNOUARVFSJYSK-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791
1,1-diphenylbut-2-yn-1-ol
CID 569279
(2-methyl-4-pyridin-2-ylbut-3-yn-2-yl) acetate
CID 154719080
3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
CID 91660263
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
diphenyl(2-pyridin-2-ylethynyl)phosphane
CID 12983143
5-(2-pyridin-2-ylethynyl)thiophene-2-carboxylic acid
CID 59463148
benzyl-(5-hydroxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-dimethylazanium chloride
CID 44656249

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol?
The IUPAC name of 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol (CID 102477720) is 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol?
The canonical SMILES for 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol is OC(C#Cc1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol?
The InChIKey is CBNOUARVFSJYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c22-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)15-14-19-13-7-8-16-21-19/h1-13,16,22H.
What are the key properties of 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol?
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol has a molecular weight of 285.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 102477720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).