2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol

C34H32F6O2 — CID 135063895

IUPAC2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H32F6O2/c1-31(2,3)27-17-21(19-7-11-23(12-8-19)33(35,36)37)15-25(29(27)41)26-16-22(18-28(30(26)42)32(4,5)6)20-9-13-24(14-10-20)34(38,39)40/h7-18,41-42H,1-6H3
InChIKeyGPVYTQYSUYZOPT-UHFFFAOYSA-N
MW586.62 g/mol
LogP10.73
Rot. Bonds3

About 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol

2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol (PubChem CID 135063895) has the molecular formula C34H32F6O2 and a molecular weight of 586.62 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
PubChem CID135063895
Molecular FormulaC34H32F6O2
Molecular Weight586.62 g/mol
Exact Mass586.23
IUPAC Name2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H32F6O2/c1-31(2,3)27-17-21(19-7-11-23(12-8-19)33(35,36)37)15-25(29(27)41)26-16-22(18-28(30(26)42)32(4,5)6)20-9-13-24(14-10-20)34(38,39)40/h7-18,41-42H,1-6H3
InChIKeyGPVYTQYSUYZOPT-UHFFFAOYSA-N
XLogP10.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.62
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol (CID 135063895) is 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol is CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol?
The InChIKey is GPVYTQYSUYZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F6O2/c1-31(2,3)27-17-21(19-7-11-23(12-8-19)33(35,36)37)15-25(29(27)41)26-16-22(18-28(30(26)42)32(4,5)6)20-9-13-24(14-10-20)34(38,39)40/h7-18,41-42H,1-6H3.
What are the key properties of 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol?
2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol has a molecular weight of 586.62 g/mol, XLogP of 10.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 135063895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).