1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol

C11H11Cl2N3O — CID 75176212

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3
InChIKeyBAFURGCWSQPPTI-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol

1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol (PubChem CID 75176212) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol
PubChem CID75176212
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3
InChIKeyBAFURGCWSQPPTI-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 62401451
[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 146425100
[1-[3-Chloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 151740981
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
1-[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 146437882
1-{1-[(4-chlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176206
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol (CID 75176212) is 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is BAFURGCWSQPPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol?
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 272.13 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 75176212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).