2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol

C29H35N3O — CID 14204967

IUPAC2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H35N3O/c1-27(2,3)21-16-22(28(4,5)6)26(33)25(18-21)32-30-23-15-14-20(17-24(23)31-32)29(7,8)19-12-10-9-11-13-19/h9-18,33H,1-8H3
InChIKeyUOODGFLSLXHQEW-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.05
Rot. Bonds3

About 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol

2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol (PubChem CID 14204967) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
PubChem CID14204967
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H35N3O/c1-27(2,3)21-16-22(28(4,5)6)26(33)25(18-21)32-30-23-15-14-20(17-24(23)31-32)29(7,8)19-12-10-9-11-13-19/h9-18,33H,1-8H3
InChIKeyUOODGFLSLXHQEW-UHFFFAOYSA-N
XLogP7.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
4-tert-butyl-2-(5-fluorobenzotriazol-2-yl)-6-(2-phenylpropan-2-yl)phenol
CID 21258670
2-(5-aminobenzotriazol-2-yl)-4,6-ditert-butylphenol
CID 58704461
2,4-ditert-butyl-6-(5-sulfanylbenzotriazol-2-yl)phenol
CID 137142820
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol
CID 172805056
[2-(3,5-ditert-butyl-2-hydroxyphenyl)benzotriazol-5-yl] carbonochloridate
CID 88753536
2-(1,1-diphenylethyl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 12010655
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 143668280
2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
CID 155248900
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol (CID 14204967) is 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol is CC(C)(C)c1cc(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The InChIKey is UOODGFLSLXHQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-27(2,3)21-16-22(28(4,5)6)26(33)25(18-21)32-30-23-15-14-20(17-24(23)31-32)29(7,8)19-12-10-9-11-13-19/h9-18,33H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol has a molecular weight of 441.62 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 14204967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).