1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole

C17H14Cl3N3O — CID 53377903

IUPAC1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
SMILESClc1ccc(COC(Cn2ccnn2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl3N3O/c18-13-3-1-12(2-4-13)11-24-17(10-23-8-7-21-22-23)15-6-5-14(19)9-16(15)20/h1-9,17H,10-11H2
InChIKeyKUIHOGILBDMXSR-UHFFFAOYSA-N
MW382.68 g/mol
LogP5.20
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole (PubChem CID 53377903) has the molecular formula C17H14Cl3N3O and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
PubChem CID53377903
Molecular FormulaC17H14Cl3N3O
Molecular Weight382.68 g/mol
Exact Mass381.02
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
SMILESClc1ccc(COC(Cn2ccnn2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl3N3O/c18-13-3-1-12(2-4-13)11-24-17(10-23-8-7-21-22-23)15-6-5-14(19)9-16(15)20/h1-9,17H,10-11H2
InChIKeyKUIHOGILBDMXSR-UHFFFAOYSA-N
XLogP5.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole (CID 53377903) is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole is Clc1ccc(COC(Cn2ccnn2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole?
The InChIKey is KUIHOGILBDMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O/c18-13-3-1-12(2-4-13)11-24-17(10-23-8-7-21-22-23)15-6-5-14(19)9-16(15)20/h1-9,17H,10-11H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole?
1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole has a molecular weight of 382.68 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole is sourced from PubChem (CID 53377903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).