2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

C26H28F3NO — CID 135765475

IUPAC2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H28F3NO/c1-24(2,3)18-14-19(23(31)20(15-18)25(4,5)6)22-12-8-11-21(30-22)16-9-7-10-17(13-16)26(27,28)29/h7-15,31H,1-6H3
InChIKeyRZMFNELXFWNJGM-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.74
Rot. Bonds2

About 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (PubChem CID 135765475) has the molecular formula C26H28F3NO and a molecular weight of 427.51 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
PubChem CID135765475
Molecular FormulaC26H28F3NO
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H28F3NO/c1-24(2,3)18-14-19(23(31)20(15-18)25(4,5)6)22-12-8-11-21(30-22)16-9-7-10-17(13-16)26(27,28)29/h7-15,31H,1-6H3
InChIKeyRZMFNELXFWNJGM-UHFFFAOYSA-N
XLogP7.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (CID 135765475) is 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cccc(-c3cccc(C(F)(F)F)c3)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The InChIKey is RZMFNELXFWNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3NO/c1-24(2,3)18-14-19(23(31)20(15-18)25(4,5)6)22-12-8-11-21(30-22)16-9-7-10-17(13-16)26(27,28)29/h7-15,31H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol has a molecular weight of 427.51 g/mol, XLogP of 7.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 135765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).