(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol

C18H19N3O — CID 72929312

IUPAC(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol
SMILESO[C@@H](Cc1ccccc1)c1ncnn1CCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-17(13-16-9-5-2-6-10-16)18-19-14-20-21(18)12-11-15-7-3-1-4-8-15/h1-10,14,17,22H,11-13H2/t17-/m0/s1
InChIKeyNJQFUIWACXKMJV-KRWDZBQOSA-N
MW293.37 g/mol
LogP2.80
Rot. Bonds6

About (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol

(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 72929312) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID72929312
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol
SMILESO[C@@H](Cc1ccccc1)c1ncnn1CCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-17(13-16-9-5-2-6-10-16)18-19-14-20-21(18)12-11-15-7-3-1-4-8-15/h1-10,14,17,22H,11-13H2/t17-/m0/s1
InChIKeyNJQFUIWACXKMJV-KRWDZBQOSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol (CID 72929312) is (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol is O[C@@H](Cc1ccccc1)c1ncnn1CCc1ccccc1.
What is the InChIKey of (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is NJQFUIWACXKMJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17(13-16-9-5-2-6-10-16)18-19-14-20-21(18)12-11-15-7-3-1-4-8-15/h1-10,14,17,22H,11-13H2/t17-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol?
(1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 293.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 72929312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).