2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol

C17H19N3O — CID 88632349

IUPAC2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol
SMILESCc1ccc(C(C)(C)C)c(O)c1-n1nc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-11-9-10-12(17(2,3)4)16(21)15(11)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,1-4H3
InChIKeyBUVJNTRJFVEBEZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds1

About 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol

2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol (PubChem CID 88632349) 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-3-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol
PubChem CID88632349
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol
SMILESCc1ccc(C(C)(C)C)c(O)c1-n1nc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-11-9-10-12(17(2,3)4)16(21)15(11)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,1-4H3
InChIKeyBUVJNTRJFVEBEZ-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

Analyze 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol (CID 88632349) is 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol is Cc1ccc(C(C)(C)C)c(O)c1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol?
The InChIKey is BUVJNTRJFVEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-9-10-12(17(2,3)4)16(21)15(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-3-methylphenol?
2-(benzotriazol-2-yl)-6-tert-butyl-3-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-3-methylphenol is sourced from PubChem (CID 88632349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).