(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol

C22H19N3O — CID 56649161

IUPAC(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H19N3O/c26-22(19-14-8-3-9-15-19)21(18-12-6-2-7-13-18)25-16-20(23-24-25)17-10-4-1-5-11-17/h1-16,21-22,26H/t21-,22-/m0/s1
InChIKeyPDSYDBIKZCLVTK-VXKWHMMOSA-N
MW341.41 g/mol
LogP4.27
Rot. Bonds5

About (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol

(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol (PubChem CID 56649161) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol
PubChem CID56649161
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H19N3O/c26-22(19-14-8-3-9-15-19)21(18-12-6-2-7-13-18)25-16-20(23-24-25)17-10-4-1-5-11-17/h1-16,21-22,26H/t21-,22-/m0/s1
InChIKeyPDSYDBIKZCLVTK-VXKWHMMOSA-N
XLogP4.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]phenyl]methanol
CID 89943592
[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]methanol
CID 89943645
[4-[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]phenyl]methanol
CID 89943769
[3-[3-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]phenyl]methanol
CID 89943884
[3-[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]phenyl]methanol
CID 89943915
4-(4-Pentylphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793725
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902507
(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902512
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
(3R,4R,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methylphenyl)piperidin-3-ol
CID 46902515
(3S,4S,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methylphenyl)piperidin-3-ol
CID 46902582
4-Phenyl-1-(3-phenylmethoxypropyl)triazole
CID 24789348

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol?
The IUPAC name of (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol (CID 56649161) is (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol?
The canonical SMILES for (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol is O[C@@H](c1ccccc1)[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol?
The InChIKey is PDSYDBIKZCLVTK-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(19-14-8-3-9-15-19)21(18-12-6-2-7-13-18)25-16-20(23-24-25)17-10-4-1-5-11-17/h1-16,21-22,26H/t21-,22-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol?
(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol has a molecular weight of 341.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol is sourced from PubChem (CID 56649161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).