2-[2-(2-phenoxyethoxy)ethyl]benzotriazole

C16H17N3O2 — CID 16614154

IUPAC2-[2-(2-phenoxyethoxy)ethyl]benzotriazole
SMILESc1ccc(OCCOCCn2nc3ccccc3n2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-6-14(7-3-1)21-13-12-20-11-10-19-17-15-8-4-5-9-16(15)18-19/h1-9H,10-13H2
InChIKeyJDZMKXUQSOMGAE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.53
Rot. Bonds7

About 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole

2-[2-(2-phenoxyethoxy)ethyl]benzotriazole (PubChem CID 16614154) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)ethyl]benzotriazole
PubChem CID16614154
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[2-(2-phenoxyethoxy)ethyl]benzotriazole
SMILESc1ccc(OCCOCCn2nc3ccccc3n2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-6-14(7-3-1)21-13-12-20-11-10-19-17-15-8-4-5-9-16(15)18-19/h1-9H,10-13H2
InChIKeyJDZMKXUQSOMGAE-UHFFFAOYSA-N
XLogP2.53
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole?
The IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole (CID 16614154) is 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole is c1ccc(OCCOCCn2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole?
The InChIKey is JDZMKXUQSOMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-6-14(7-3-1)21-13-12-20-11-10-19-17-15-8-4-5-9-16(15)18-19/h1-9H,10-13H2.
What are the key properties of 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole?
2-[2-(2-phenoxyethoxy)ethyl]benzotriazole has a molecular weight of 283.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)ethyl]benzotriazole is sourced from PubChem (CID 16614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).