2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole

C16H17N3O — CID 803812

IUPAC2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole
SMILESCc1ccc(OCCn2nc3ccccc3n2)c(C)c1
InChIInChI=1S/C16H17N3O/c1-12-7-8-16(13(2)11-12)20-10-9-19-17-14-5-3-4-6-15(14)18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyKINXJUCLTBIXBM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole

2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole (PubChem CID 803812) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole
PubChem CID803812
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole
SMILESCc1ccc(OCCn2nc3ccccc3n2)c(C)c1
InChIInChI=1S/C16H17N3O/c1-12-7-8-16(13(2)11-12)20-10-9-19-17-14-5-3-4-6-15(14)18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyKINXJUCLTBIXBM-UHFFFAOYSA-N
XLogP3.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole?
The IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole (CID 803812) is 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole.
What is the SMILES notation for 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole?
The canonical SMILES for 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole is Cc1ccc(OCCn2nc3ccccc3n2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole?
The InChIKey is KINXJUCLTBIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-7-8-16(13(2)11-12)20-10-9-19-17-14-5-3-4-6-15(14)18-19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole?
2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenoxy)ethyl]benzotriazole is sourced from PubChem (CID 803812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).