2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol

C32H30F3N3O — CID 172805056

IUPAC2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(C)c1ccc(-c2cccc(C(C)(C)c3ccccc3)c2O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C32H30F3N3O/c1-30(2,3)21-14-16-23(24-12-9-13-25(29(24)39)31(4,5)20-10-7-6-8-11-20)28(19-21)38-36-26-17-15-22(32(33,34)35)18-27(26)37-38/h6-19,39H,1-5H3
InChIKeyRJYVBEWZZGGTSC-UHFFFAOYSA-N
MW529.61 g/mol
LogP8.44
Rot. Bonds4

About 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol

2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol (PubChem CID 172805056) has the molecular formula C32H30F3N3O and a molecular weight of 529.61 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol
PubChem CID172805056
Molecular FormulaC32H30F3N3O
Molecular Weight529.61 g/mol
Exact Mass529.23
IUPAC Name2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(C)c1ccc(-c2cccc(C(C)(C)c3ccccc3)c2O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C32H30F3N3O/c1-30(2,3)21-14-16-23(24-12-9-13-25(29(24)39)31(4,5)20-10-7-6-8-11-20)28(19-21)38-36-26-17-15-22(32(33,34)35)18-27(26)37-38/h6-19,39H,1-5H3
InChIKeyRJYVBEWZZGGTSC-UHFFFAOYSA-N
XLogP8.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204967
4-tert-butyl-2-(5-fluorobenzotriazol-2-yl)-6-(2-phenylpropan-2-yl)phenol
CID 21258670
2-(1,1-diphenylethyl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 12010655
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
2,4-di(propan-2-yl)-6-[2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]phenol
CID 150816010
2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22506032
2-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid
CID 152531454
2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole
CID 175350348
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
2-[2-hydroxy-3-(2-phenylpropan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6,7-bis(trifluoromethyl)benzo[f]benzotriazole-5,8-dione
CID 146666336
3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]prop-2-enal
CID 141007728
4-(3-hydroxypropyl)-2-(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methyl 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoate;methyl 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]propanoate
CID 158831969

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol (CID 172805056) is 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol is CC(C)(C)c1ccc(-c2cccc(C(C)(C)c3ccccc3)c2O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is RJYVBEWZZGGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N3O/c1-30(2,3)21-14-16-23(24-12-9-13-25(29(24)39)31(4,5)20-10-7-6-8-11-20)28(19-21)38-36-26-17-15-22(32(33,34)35)18-27(26)37-38/h6-19,39H,1-5H3.
What are the key properties of 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol?
2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 529.61 g/mol, XLogP of 8.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 172805056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).