1-(2-methoxyphenyl)benzotriazole

C13H11N3O — CID 53415460

IUPAC1-(2-methoxyphenyl)benzotriazole
SMILESCOc1ccccc1-n1nnc2ccccc21
InChIInChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)14-15-16/h2-9H,1H3
InChIKeyVFONLYDQSQORIK-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-methoxyphenyl)benzotriazole

1-(2-methoxyphenyl)benzotriazole (PubChem CID 53415460) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)benzotriazole
PubChem CID53415460
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-(2-methoxyphenyl)benzotriazole
SMILESCOc1ccccc1-n1nnc2ccccc21
InChIInChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)14-15-16/h2-9H,1H3
InChIKeyVFONLYDQSQORIK-UHFFFAOYSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)benzotriazole?
The IUPAC name of 1-(2-methoxyphenyl)benzotriazole (CID 53415460) is 1-(2-methoxyphenyl)benzotriazole.
What is the SMILES notation for 1-(2-methoxyphenyl)benzotriazole?
The canonical SMILES for 1-(2-methoxyphenyl)benzotriazole is COc1ccccc1-n1nnc2ccccc21.
What is the InChIKey of 1-(2-methoxyphenyl)benzotriazole?
The InChIKey is VFONLYDQSQORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)14-15-16/h2-9H,1H3.
What are the key properties of 1-(2-methoxyphenyl)benzotriazole?
1-(2-methoxyphenyl)benzotriazole has a molecular weight of 225.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)benzotriazole is sourced from PubChem (CID 53415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).