2-(2-ethoxy-5-methylphenyl)benzotriazole

C15H15N3O — CID 717829

IUPAC2-(2-ethoxy-5-methylphenyl)benzotriazole
SMILESCCOc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-3-19-15-9-8-11(2)10-14(15)18-16-12-6-4-5-7-13(12)17-18/h4-10H,3H2,1-2H3
InChIKeyBFYTUFYBHRPDSH-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-ethoxy-5-methylphenyl)benzotriazole

2-(2-ethoxy-5-methylphenyl)benzotriazole (PubChem CID 717829) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-ethoxy-5-methylphenyl)benzotriazole.

Molecular Properties

Compound Name2-(2-ethoxy-5-methylphenyl)benzotriazole
PubChem CID717829
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(2-ethoxy-5-methylphenyl)benzotriazole
SMILESCCOc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C15H15N3O/c1-3-19-15-9-8-11(2)10-14(15)18-16-12-6-4-5-7-13(12)17-18/h4-10H,3H2,1-2H3
InChIKeyBFYTUFYBHRPDSH-UHFFFAOYSA-N
XLogP3.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-methylphenyl)benzotriazole?
The IUPAC name of 2-(2-ethoxy-5-methylphenyl)benzotriazole (CID 717829) is 2-(2-ethoxy-5-methylphenyl)benzotriazole.
What is the SMILES notation for 2-(2-ethoxy-5-methylphenyl)benzotriazole?
The canonical SMILES for 2-(2-ethoxy-5-methylphenyl)benzotriazole is CCOc1ccc(C)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(2-ethoxy-5-methylphenyl)benzotriazole?
The InChIKey is BFYTUFYBHRPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-19-15-9-8-11(2)10-14(15)18-16-12-6-4-5-7-13(12)17-18/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-5-methylphenyl)benzotriazole?
2-(2-ethoxy-5-methylphenyl)benzotriazole has a molecular weight of 253.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-methylphenyl)benzotriazole is sourced from PubChem (CID 717829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).