1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride

C16H15Cl2N3O — CID 12782950

IUPAC1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
SMILESCl.OC(Cn1cncn1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O.ClH/c17-15-9-5-4-8-14(15)16(21,10-20-12-18-11-19-20)13-6-2-1-3-7-13;/h1-9,11-12,21H,10H2;1H
InChIKeyZKWIRZSSNPJKRV-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride

1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride (PubChem CID 12782950) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
PubChem CID12782950
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
SMILESCl.OC(Cn1cncn1)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O.ClH/c17-15-9-5-4-8-14(15)16(21,10-20-12-18-11-19-20)13-6-2-1-3-7-13;/h1-9,11-12,21H,10H2;1H
InChIKeyZKWIRZSSNPJKRV-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
1-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782961
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
4-[1-(4-cyanophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile
CID 71301072
1,1-dimethoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 13491628
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 150440123
3-[(3,4-dichlorophenyl)methoxyamino]-2-phenyl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 57118863
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride (CID 12782950) is 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride is Cl.OC(Cn1cncn1)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride?
The InChIKey is ZKWIRZSSNPJKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.ClH/c17-15-9-5-4-8-14(15)16(21,10-20-12-18-11-19-20)13-6-2-1-3-7-13;/h1-9,11-12,21H,10H2;1H.
What are the key properties of 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride?
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride has a molecular weight of 336.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 12782950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).