2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol

C10H10ClN3O — CID 171977591

IUPAC2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2
InChIKeyPSVLGFCXQZMZII-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.67
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol (PubChem CID 171977591) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
PubChem CID171977591
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2
InChIKeyPSVLGFCXQZMZII-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol (CID 171977591) is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol is OC(Cc1ccc(Cl)cc1)n1cncn1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is PSVLGFCXQZMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2.
What are the key properties of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 223.66 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 171977591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).