2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol

C25H28FNO — CID 136790275

IUPAC2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3F)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H28FNO/c1-24(2,3)16-14-18(23(28)19(15-16)25(4,5)6)22-13-9-12-21(27-22)17-10-7-8-11-20(17)26/h7-15,28H,1-6H3
InChIKeySIDJSROEUZCLHN-UHFFFAOYSA-N
MW377.50 g/mol
LogP6.86
Rot. Bonds2

About 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol

2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol (PubChem CID 136790275) has the molecular formula C25H28FNO and a molecular weight of 377.50 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
PubChem CID136790275
Molecular FormulaC25H28FNO
Molecular Weight377.50 g/mol
Exact Mass377.22
IUPAC Name2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3F)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H28FNO/c1-24(2,3)16-14-18(23(28)19(15-16)25(4,5)6)22-13-9-12-21(27-22)17-10-7-8-11-20(17)26/h7-15,28H,1-6H3
InChIKeySIDJSROEUZCLHN-UHFFFAOYSA-N
XLogP6.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
2-tert-butyl-6-[6-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-pyridinyl]-4-methylphenol;methanidylbenzene;zirconium(2+)
CID 59104933
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
CID 136790278
4-tert-butyl-2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyrazin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-6-pyrazin-2-ylphenol
CID 140549433
2,4-ditert-butyl-6-[2-(4,7-difluoro-1H-inden-2-yl)phenyl]phenol
CID 166006395
3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136810654
2,4-ditert-butyl-6-[4-tert-butyl-6-(2-pyridin-2-yldibenzothiophen-4-yl)-2-pyridinyl]phenol
CID 176796259
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
4-tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol (CID 136790275) is 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cccc(-c3ccccc3F)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol?
The InChIKey is SIDJSROEUZCLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO/c1-24(2,3)16-14-18(23(28)19(15-16)25(4,5)6)22-13-9-12-21(27-22)17-10-7-8-11-20(17)26/h7-15,28H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol?
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol has a molecular weight of 377.50 g/mol, XLogP of 6.86, 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-(2-fluorophenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136790275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).