2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

C17H14Cl2FN3O2 — CID 13391691

IUPAC2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOC(c1ccc(F)cc1)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FN3O2/c18-12-3-6-14(15(19)7-12)17(25,8-23-10-21-9-22-23)16(24)11-1-4-13(20)5-2-11/h1-7,9-10,16,24-25H,8H2
InChIKeyUALIIGYAUNFWEZ-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 13391691) has the molecular formula C17H14Cl2FN3O2 and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID13391691
Molecular FormulaC17H14Cl2FN3O2
Molecular Weight382.22 g/mol
Exact Mass381.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOC(c1ccc(F)cc1)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2FN3O2/c18-12-3-6-14(15(19)7-12)17(25,8-23-10-21-9-22-23)16(24)11-1-4-13(20)5-2-11/h1-7,9-10,16,24-25H,8H2
InChIKeyUALIIGYAUNFWEZ-UHFFFAOYSA-N
XLogP3.35
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol 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-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 13391691) is 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is OC(c1ccc(F)cc1)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is UALIIGYAUNFWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O2/c18-12-3-6-14(15(19)7-12)17(25,8-23-10-21-9-22-23)16(24)11-1-4-13(20)5-2-11/h1-7,9-10,16,24-25H,8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 382.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 13391691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).