1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole

C15H15N3O — CID 5149956

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole
SMILESCOc1ccc(C)cc1Cn1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-11-7-8-15(19-2)12(9-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-9H,10H2,1-2H3
InChIKeyIDGJOZHOGLQWPT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole

1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole (PubChem CID 5149956) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole
PubChem CID5149956
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole
SMILESCOc1ccc(C)cc1Cn1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-11-7-8-15(19-2)12(9-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-9H,10H2,1-2H3
InChIKeyIDGJOZHOGLQWPT-UHFFFAOYSA-N
XLogP2.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole (CID 5149956) is 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole is COc1ccc(C)cc1Cn1nnc2ccccc21.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole?
The InChIKey is IDGJOZHOGLQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-7-8-15(19-2)12(9-11)10-18-14-6-4-3-5-13(14)16-17-18/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole?
1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole has a molecular weight of 253.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]benzotriazole is sourced from PubChem (CID 5149956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).