1-[2-(4-chlorophenoxy)ethyl]triazole

C10H10ClN3O — CID 91661153

IUPAC1-[2-(4-chlorophenoxy)ethyl]triazole
SMILESClc1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C10H10ClN3O/c11-9-1-3-10(4-2-9)15-8-7-14-6-5-12-13-14/h1-6H,7-8H2
InChIKeyBOLGMIJZOOMBHD-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]triazole

1-[2-(4-chlorophenoxy)ethyl]triazole (PubChem CID 91661153) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]triazole
PubChem CID91661153
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]triazole
SMILESClc1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C10H10ClN3O/c11-9-1-3-10(4-2-9)15-8-7-14-6-5-12-13-14/h1-6H,7-8H2
InChIKeyBOLGMIJZOOMBHD-UHFFFAOYSA-N
XLogP2.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]triazole (CID 91661153) is 1-[2-(4-chlorophenoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]triazole is Clc1ccc(OCCn2ccnn2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]triazole?
The InChIKey is BOLGMIJZOOMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-1-3-10(4-2-9)15-8-7-14-6-5-12-13-14/h1-6H,7-8H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]triazole?
1-[2-(4-chlorophenoxy)ethyl]triazole has a molecular weight of 223.66 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]triazole is sourced from PubChem (CID 91661153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).