2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol

C12H14ClN3O2 — CID 55066947

IUPAC2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCOc2ccccc2Cl)nn1
InChIInChI=1S/C12H14ClN3O2/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyQBAPILLLLCLQOH-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol

2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol (PubChem CID 55066947) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
PubChem CID55066947
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCOc2ccccc2Cl)nn1
InChIInChI=1S/C12H14ClN3O2/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyQBAPILLLLCLQOH-UHFFFAOYSA-N
XLogP1.55
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole
CID 62395128
2-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 62401507
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
4-(chloromethyl)-1-[2-(2-methylphenoxy)ethyl]triazole
CID 62401566
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581074
2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642379
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229422
4-(bromomethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 62402131
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanol
CID 112591367
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
CID 62055303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol (CID 55066947) is 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol is OCCc1cn(CCOc2ccccc2Cl)nn1.
What is the InChIKey of 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol?
The InChIKey is QBAPILLLLCLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2.
What are the key properties of 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol?
2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol has a molecular weight of 267.72 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55066947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).