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

C19H17Cl2F2N3O2 — CID 53377905

IUPAC2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CC(OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C19H17Cl2F2N3O2/c20-13-2-4-16(17(21)7-13)19(10-26-9-15(5-6-27)24-25-26)28-11-12-1-3-14(22)8-18(12)23/h1-4,7-9,19,27H,5-6,10-11H2
InChIKeyDEQGEJXXRWAVTI-UHFFFAOYSA-N
MW428.27 g/mol
LogP4.36
Rot. Bonds8

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

2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol (PubChem CID 53377905) has the molecular formula C19H17Cl2F2N3O2 and a molecular weight of 428.27 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol
PubChem CID53377905
Molecular FormulaC19H17Cl2F2N3O2
Molecular Weight428.27 g/mol
Exact Mass427.07
IUPAC Name2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CC(OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C19H17Cl2F2N3O2/c20-13-2-4-16(17(21)7-13)19(10-26-9-15(5-6-27)24-25-26)28-11-12-1-3-14(22)8-18(12)23/h1-4,7-9,19,27H,5-6,10-11H2
InChIKeyDEQGEJXXRWAVTI-UHFFFAOYSA-N
XLogP4.36
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

4-Butyl-1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
CID 53377787
2-[1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]ethanol
CID 53377788
4-Butyl-1-[2-(2,4-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]methoxy]ethyl]triazole
CID 53377789
2-[1-[2-(2,4-Dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]methoxy]ethyl]triazol-4-yl]ethanol
CID 53377899
4-Butyl-1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazole
CID 53377900
1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazole
CID 53377903
1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]ethan-1-ol
CID 53378213
2-(4-Butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53378216
1-(2,4-Dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol
CID 53378217
2-(4-Cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53378218
2-(4-Tert-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53378323
[1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
CID 71456817

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol (CID 53377905) is 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol is OCCc1cn(CC(OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol?
The InChIKey is DEQGEJXXRWAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2N3O2/c20-13-2-4-16(17(21)7-13)19(10-26-9-15(5-6-27)24-25-26)28-11-12-1-3-14(22)8-18(12)23/h1-4,7-9,19,27H,5-6,10-11H2.
What are the key properties of 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol?
2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol has a molecular weight of 428.27 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dichlorophenyl)-2-[(2,4-difluorophenyl)methoxy]ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 53377905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).