2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol

C22H20N6O — CID 23363176

IUPAC2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol
SMILESCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C22H20N6O/c1-22(2,3)14-12-19(27-18-11-7-6-10-17(18)23-26-27)21(29)20(13-14)28-24-15-8-4-5-9-16(15)25-28/h4-13,29H,1-3H3
InChIKeyCWZXYMIBGWBQGW-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.16
Rot. Bonds2

About 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol

2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol (PubChem CID 23363176) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol
PubChem CID23363176
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol
SMILESCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C22H20N6O/c1-22(2,3)14-12-19(27-18-11-7-6-10-17(18)23-26-27)21(29)20(13-14)28-24-15-8-4-5-9-16(15)25-28/h4-13,29H,1-3H3
InChIKeyCWZXYMIBGWBQGW-UHFFFAOYSA-N
XLogP4.16
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605
2-(Benzotriazol-2-yl)-6-[3,5-bis(trifluoromethyl)anilino]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 137102001
2-(Benzotriazol-2-yl)-6-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)anilino]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 137289604
2-(2H-benzotriazol-2-yl)-4-cumyl-phenol
CID 771461
1,2-Bis-[2-(2-hydroxy-5-methylphenyl)-5-benzotriazolyl]-ethane
CID 129717230
2-(Benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 10860291
2-(1H-Benzotriazol-1-yl)-4,6-bis(1,1-dimethylpropyl)phenol
CID 14093870
4-Methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204973
4-Tert-butyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204976
2-(Benzotriazol-1-yl)-4,6-ditert-butylphenol
CID 14344570
2-(Benzotriazol-1-yl)-4-tert-butylphenol
CID 14344779
2-(Benzotriazol-1-yl)-5-tert-butylphenol
CID 14993713

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol?
The IUPAC name of 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol (CID 23363176) is 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol is CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(-n2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol?
The InChIKey is CWZXYMIBGWBQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-22(2,3)14-12-19(27-18-11-7-6-10-17(18)23-26-27)21(29)20(13-14)28-24-15-8-4-5-9-16(15)25-28/h4-13,29H,1-3H3.
What are the key properties of 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol?
2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol has a molecular weight of 384.44 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-6-(benzotriazol-2-yl)-4-tert-butylphenol is sourced from PubChem (CID 23363176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).