1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole

C16H17N3O3 — CID 2491457

IUPAC1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole
SMILESCCOc1ccc(OCCOn2nnc3ccccc32)cc1
InChIInChI=1S/C16H17N3O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-19-16-6-4-3-5-15(16)17-18-19/h3-10H,2,11-12H2,1H3
InChIKeyHKVXZIXAAXFIEY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.34
Rot. Bonds7

About 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole

1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole (PubChem CID 2491457) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole
PubChem CID2491457
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole
SMILESCCOc1ccc(OCCOn2nnc3ccccc32)cc1
InChIInChI=1S/C16H17N3O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-19-16-6-4-3-5-15(16)17-18-19/h3-10H,2,11-12H2,1H3
InChIKeyHKVXZIXAAXFIEY-UHFFFAOYSA-N
XLogP2.34
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-ethoxyphenoxy)ethoxy]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-(4-ethoxyphenoxy)ethoxy]benzotriazole?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole (CID 2491457) is 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole is CCOc1ccc(OCCOn2nnc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole?
The InChIKey is HKVXZIXAAXFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-22-19-16-6-4-3-5-15(16)17-18-19/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole?
1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole has a molecular weight of 299.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethoxy]benzotriazole is sourced from PubChem (CID 2491457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).