2-[2-(4-chlorophenoxy)ethyl]benzotriazole

C14H12ClN3O — CID 803079

IUPAC2-[2-(4-chlorophenoxy)ethyl]benzotriazole
SMILESClc1ccc(OCCn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H12ClN3O/c15-11-5-7-12(8-6-11)19-10-9-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2
InChIKeyIPKYRJVIZOPEIZ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-(4-chlorophenoxy)ethyl]benzotriazole

2-[2-(4-chlorophenoxy)ethyl]benzotriazole (PubChem CID 803079) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl]benzotriazole
PubChem CID803079
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-[2-(4-chlorophenoxy)ethyl]benzotriazole
SMILESClc1ccc(OCCn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H12ClN3O/c15-11-5-7-12(8-6-11)19-10-9-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2
InChIKeyIPKYRJVIZOPEIZ-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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Related Compounds

1-[2-(2-Chlorophenoxy)ethyl]benzotriazole
CID 2988991
2-[2-(2-ethoxyphenoxy)ethyl]-2H-1,2,3-benzotriazole
CID 23723253
5,6-Dichloro-2-(4-methoxyphenyl)benzotriazole
CID 127035173
2-(2'-Methoxy-phenyl)-benztriazole
CID 12691726
1-[2-(4-chlorophenoxy)ethyl]-1H-1,2,3-benzotriazole
CID 762615
2-[2-(2-phenoxyethoxy)ethyl]-2H-1,2,3-benzotriazole
CID 16614154
1-[4-(4-chlorophenoxy)butyl]-1H-benzotriazole
CID 3161279
1-(1H-benzotriazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 4553502
4-[2-(Benzotriazol-2-yl)ethoxy]phenol
CID 20205260
5-Chloro-2-(5-methyl-2-prop-2-enoxyphenyl)benzotriazole
CID 20764378
2-(3-Chlorophenyl)-5-methoxybenzotriazole
CID 54422674
2-[5-Chloro-2-(3-chloropropoxy)phenyl]benzotriazole
CID 57941263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl]benzotriazole?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl]benzotriazole (CID 803079) is 2-[2-(4-chlorophenoxy)ethyl]benzotriazole.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl]benzotriazole?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl]benzotriazole is Clc1ccc(OCCn2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl]benzotriazole?
The InChIKey is IPKYRJVIZOPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-5-7-12(8-6-11)19-10-9-18-16-13-3-1-2-4-14(13)17-18/h1-8H,9-10H2.
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl]benzotriazole?
2-[2-(4-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 2-[2-(4-chlorophenoxy)ethyl]benzotriazole is sourced from PubChem (CID 803079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).