2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol

C16H11Cl4N3O2 — CID 20574461

IUPAC2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(c1ccc(Cl)cc1Cl)C(Oc1ccc(Cl)cc1Cl)n1cncn1
InChIInChI=1S/C16H11Cl4N3O2/c17-9-1-3-11(12(19)5-9)15(24)16(23-8-21-7-22-23)25-14-4-2-10(18)6-13(14)20/h1-8,15-16,24H
InChIKeyTWPUWUHSEOJYHG-UHFFFAOYSA-N
MW419.10 g/mol
LogP5.20
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol

2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 20574461) has the molecular formula C16H11Cl4N3O2 and a molecular weight of 419.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID20574461
Molecular FormulaC16H11Cl4N3O2
Molecular Weight419.10 g/mol
Exact Mass416.96
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(c1ccc(Cl)cc1Cl)C(Oc1ccc(Cl)cc1Cl)n1cncn1
InChIInChI=1S/C16H11Cl4N3O2/c17-9-1-3-11(12(19)5-9)15(24)16(23-8-21-7-22-23)25-14-4-2-10(18)6-13(14)20/h1-8,15-16,24H
InChIKeyTWPUWUHSEOJYHG-UHFFFAOYSA-N
XLogP5.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.10
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-4-fluoro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 20518330
3-(4-chlorophenoxy)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 139595204
1-(2,3-dichlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 19358577
[2,2,2-tribromo-1-(1,2,4-triazol-1-yl)ethyl] 2,4-dichlorobenzoate
CID 56692672
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
CID 171977591
1-(2,4-dichlorophenyl)-2-(2,3-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)ethanone
CID 20574483
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
2-[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethoxy]butan-1-ol
CID 89492984
4-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)pentane-1,3-dione
CID 23625915
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731
3-(2,4-dichlorophenyl)-3-hydroxy-3-phenyl-2-(1,2,4-triazol-1-yl)propanoic acid
CID 56984517
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol (CID 20574461) is 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol is OC(c1ccc(Cl)cc1Cl)C(Oc1ccc(Cl)cc1Cl)n1cncn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is TWPUWUHSEOJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4N3O2/c17-9-1-3-11(12(19)5-9)15(24)16(23-8-21-7-22-23)25-14-4-2-10(18)6-13(14)20/h1-8,15-16,24H.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol?
2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 419.10 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 20574461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).