2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

C21H19N3O — CID 771461

IUPAC2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H19N3O/c1-21(2,15-8-4-3-5-9-15)16-12-13-20(25)19(14-16)24-22-17-10-6-7-11-18(17)23-24/h3-14,25H,1-2H3
InChIKeyDFPWANCFLBQQDE-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.45
Rot. Bonds3

About 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol

2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol (PubChem CID 771461) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol
PubChem CID771461
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C21H19N3O/c1-21(2,15-8-4-3-5-9-15)16-12-13-20(25)19(14-16)24-22-17-10-6-7-11-18(17)23-24/h3-14,25H,1-2H3
InChIKeyDFPWANCFLBQQDE-UHFFFAOYSA-N
XLogP4.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol 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)-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol (CID 771461) is 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is DFPWANCFLBQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-21(2,15-8-4-3-5-9-15)16-12-13-20(25)19(14-16)24-22-17-10-6-7-11-18(17)23-24/h3-14,25H,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol?
2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 329.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 771461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).