[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol

C18H16Cl3N3O2 — CID 71456817

IUPAC[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C18H16Cl3N3O2/c19-13-3-1-12(2-4-13)11-26-18(9-24-8-15(10-25)22-23-24)16-6-5-14(20)7-17(16)21/h1-8,18,25H,9-11H2
InChIKeyFODXSMBGDMILAD-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.69
Rot. Bonds7

About [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol

[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol (PubChem CID 71456817) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
PubChem CID71456817
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC Name[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C18H16Cl3N3O2/c19-13-3-1-12(2-4-13)11-26-18(9-24-8-15(10-25)22-23-24)16-6-5-14(20)7-17(16)21/h1-8,18,25H,9-11H2
InChIKeyFODXSMBGDMILAD-UHFFFAOYSA-N
XLogP4.69
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol (CID 71456817) is [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol is OCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol?
The InChIKey is FODXSMBGDMILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c19-13-3-1-12(2-4-13)11-26-18(9-24-8-15(10-25)22-23-24)16-6-5-14(20)7-17(16)21/h1-8,18,25H,9-11H2.
What are the key properties of [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol?
[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol has a molecular weight of 412.70 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 71456817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).