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

C19H18Cl3N3O2 — CID 53377788

IUPAC2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C19H18Cl3N3O2/c20-14-3-1-13(2-4-14)12-27-19(17-6-5-15(21)9-18(17)22)11-25-10-16(7-8-26)23-24-25/h1-6,9-10,19,26H,7-8,11-12H2
InChIKeySNOBNQGDBUPIEK-UHFFFAOYSA-N
MW426.73 g/mol
LogP4.73
Rot. Bonds8

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

2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol (PubChem CID 53377788) has the molecular formula C19H18Cl3N3O2 and a molecular weight of 426.73 g/mol. Its IUPAC name is 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol
PubChem CID53377788
Molecular FormulaC19H18Cl3N3O2
Molecular Weight426.73 g/mol
Exact Mass425.05
IUPAC Name2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C19H18Cl3N3O2/c20-14-3-1-13(2-4-14)12-27-19(17-6-5-15(21)9-18(17)22)11-25-10-16(7-8-26)23-24-25/h1-6,9-10,19,26H,7-8,11-12H2
InChIKeySNOBNQGDBUPIEK-UHFFFAOYSA-N
XLogP4.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.73
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol (CID 53377788) is 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol is OCCc1cn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol?
The InChIKey is SNOBNQGDBUPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O2/c20-14-3-1-13(2-4-14)12-27-19(17-6-5-15(21)9-18(17)22)11-25-10-16(7-8-26)23-24-25/h1-6,9-10,19,26H,7-8,11-12H2.
What are the key properties of 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol?
2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol has a molecular weight of 426.73 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 53377788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).