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

C16H17N3O2 — CID 803394

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole
SMILESCCOc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-20-15-9-5-6-10-16(15)21-12-11-19-14-8-4-3-7-13(14)17-18-19/h3-10H,2,11-12H2,1H3
InChIKeyIJFRHVQCJIXDPT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.91
Rot. Bonds6

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

1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole (PubChem CID 803394) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole
PubChem CID803394
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole
SMILESCCOc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-20-15-9-5-6-10-16(15)21-12-11-19-14-8-4-3-7-13(14)17-18-19/h3-10H,2,11-12H2,1H3
InChIKeyIJFRHVQCJIXDPT-UHFFFAOYSA-N
XLogP2.91
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-ethoxyphenoxy)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 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole (CID 803394) is 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole is CCOc1ccccc1OCCn1nnc2ccccc21.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole?
The InChIKey is IJFRHVQCJIXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-20-15-9-5-6-10-16(15)21-12-11-19-14-8-4-3-7-13(14)17-18-19/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole?
1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole has a molecular weight of 283.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]benzotriazole is sourced from PubChem (CID 803394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).