1-[2-(2-chlorophenoxy)ethyl]benzotriazole

C14H12ClN3O — CID 2988991

IUPAC1-[2-(2-chlorophenoxy)ethyl]benzotriazole
SMILESClc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C14H12ClN3O/c15-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)16-17-18/h1-8H,9-10H2
InChIKeyCPSGEEXHRIORJF-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]benzotriazole

1-[2-(2-chlorophenoxy)ethyl]benzotriazole (PubChem CID 2988991) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]benzotriazole
PubChem CID2988991
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]benzotriazole
SMILESClc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C14H12ClN3O/c15-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)16-17-18/h1-8H,9-10H2
InChIKeyCPSGEEXHRIORJF-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]benzotriazole?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]benzotriazole (CID 2988991) is 1-[2-(2-chlorophenoxy)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]benzotriazole is Clc1ccccc1OCCn1nnc2ccccc21.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]benzotriazole?
The InChIKey is CPSGEEXHRIORJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-5-1-4-8-14(11)19-10-9-18-13-7-3-2-6-12(13)16-17-18/h1-8H,9-10H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]benzotriazole?
1-[2-(2-chlorophenoxy)ethyl]benzotriazole has a molecular weight of 273.72 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]benzotriazole is sourced from PubChem (CID 2988991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).