2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol

C17H19N3O — CID 15567893

IUPAC2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H19N3O/c1-11-9-12(17(2,3)4)16(21)15(10-11)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,1-4H3
InChIKeyAQROEYPMNFCJCK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds1

About 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol

2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol (PubChem CID 15567893) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
PubChem CID15567893
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H19N3O/c1-11-9-12(17(2,3)4)16(21)15(10-11)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,1-4H3
InChIKeyAQROEYPMNFCJCK-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol (CID 15567893) is 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol is Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
The InChIKey is AQROEYPMNFCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-9-12(17(2,3)4)16(21)15(10-11)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,1-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol?
2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol has a molecular weight of 281.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 15567893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).