2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole

C16H17N3O — CID 58800185

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole
SMILESCOc1c(C)cc(-n2nc3ccccc3n2)c(C)c1C
InChIInChI=1S/C16H17N3O/c1-10-9-15(11(2)12(3)16(10)20-4)19-17-13-7-5-6-8-14(13)18-19/h5-9H,1-4H3
InChIKeyKYYDGIWZQJTZKN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds2

About 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole

2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole (PubChem CID 58800185) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole
PubChem CID58800185
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole
SMILESCOc1c(C)cc(-n2nc3ccccc3n2)c(C)c1C
InChIInChI=1S/C16H17N3O/c1-10-9-15(11(2)12(3)16(10)20-4)19-17-13-7-5-6-8-14(13)18-19/h5-9H,1-4H3
InChIKeyKYYDGIWZQJTZKN-UHFFFAOYSA-N
XLogP3.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole (CID 58800185) is 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole is COc1c(C)cc(-n2nc3ccccc3n2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole?
The InChIKey is KYYDGIWZQJTZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-9-15(11(2)12(3)16(10)20-4)19-17-13-7-5-6-8-14(13)18-19/h5-9H,1-4H3.
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole?
2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole is sourced from PubChem (CID 58800185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).