4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

C24H16F3NO2 — CID 137317886

IUPAC4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C24H16F3NO2/c25-24(26,27)19-7-1-15(2-8-19)18-13-22(16-3-9-20(29)10-4-16)28-23(14-18)17-5-11-21(30)12-6-17/h1-14,29-30H
InChIKeyCRBPDALLOOMGAV-UHFFFAOYSA-N
MW407.39 g/mol
LogP6.51
Rot. Bonds3

About 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (PubChem CID 137317886) has the molecular formula C24H16F3NO2 and a molecular weight of 407.39 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
PubChem CID137317886
Molecular FormulaC24H16F3NO2
Molecular Weight407.39 g/mol
Exact Mass407.11
IUPAC Name4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C24H16F3NO2/c25-24(26,27)19-7-1-15(2-8-19)18-13-22(16-3-9-20(29)10-4-16)28-23(14-18)17-5-11-21(30)12-6-17/h1-14,29-30H
InChIKeyCRBPDALLOOMGAV-UHFFFAOYSA-N
XLogP6.51
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.39
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (CID 137317886) is 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The InChIKey is CRBPDALLOOMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO2/c25-24(26,27)19-7-1-15(2-8-19)18-13-22(16-3-9-20(29)10-4-16)28-23(14-18)17-5-11-21(30)12-6-17/h1-14,29-30H.
What are the key properties of 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol has a molecular weight of 407.39 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 137317886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).