2-(2-methoxy-5-methylphenyl)benzotriazole

C14H13N3O — CID 576258

IUPAC2-(2-methoxy-5-methylphenyl)benzotriazole
SMILESCOc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-10-7-8-14(18-2)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3
InChIKeyUKIGOZLXUVBVSS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.74
Rot. Bonds2

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

2-(2-methoxy-5-methylphenyl)benzotriazole (PubChem CID 576258) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)benzotriazole.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)benzotriazole
PubChem CID576258
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-methoxy-5-methylphenyl)benzotriazole
SMILESCOc1ccc(C)cc1-n1nc2ccccc2n1
InChIInChI=1S/C14H13N3O/c1-10-7-8-14(18-2)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3
InChIKeyUKIGOZLXUVBVSS-UHFFFAOYSA-N
XLogP2.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)benzotriazole?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)benzotriazole (CID 576258) is 2-(2-methoxy-5-methylphenyl)benzotriazole.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)benzotriazole?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)benzotriazole is COc1ccc(C)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)benzotriazole?
The InChIKey is UKIGOZLXUVBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-8-14(18-2)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)benzotriazole?
2-(2-methoxy-5-methylphenyl)benzotriazole has a molecular weight of 239.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)benzotriazole is sourced from PubChem (CID 576258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).