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

C15H15N3O2 — CID 2986283

IUPAC1-[2-(2-methoxyphenoxy)ethyl]benzotriazole
SMILESCOc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-19-14-8-4-5-9-15(14)20-11-10-18-13-7-3-2-6-12(13)16-17-18/h2-9H,10-11H2,1H3
InChIKeySSOQAXVZUCQPDT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.52
Rot. Bonds5

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

1-[2-(2-methoxyphenoxy)ethyl]benzotriazole (PubChem CID 2986283) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]benzotriazole
PubChem CID2986283
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]benzotriazole
SMILESCOc1ccccc1OCCn1nnc2ccccc21
InChIInChI=1S/C15H15N3O2/c1-19-14-8-4-5-9-15(14)20-11-10-18-13-7-3-2-6-12(13)16-17-18/h2-9H,10-11H2,1H3
InChIKeySSOQAXVZUCQPDT-UHFFFAOYSA-N
XLogP2.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole (CID 2986283) is 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole is COc1ccccc1OCCn1nnc2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole?
The InChIKey is SSOQAXVZUCQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-14-8-4-5-9-15(14)20-11-10-18-13-7-3-2-6-12(13)16-17-18/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole?
1-[2-(2-methoxyphenoxy)ethyl]benzotriazole has a molecular weight of 269.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]benzotriazole is sourced from PubChem (CID 2986283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).