4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

C24H16F3NO2 — CID 141068099

IUPAC4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C24H16F3NO2/c25-24(26,27)19-3-1-2-17(12-19)18-13-22(15-4-8-20(29)9-5-15)28-23(14-18)16-6-10-21(30)11-7-16/h1-14,29-30H
InChIKeyVOSXKTXIBWTZQO-UHFFFAOYSA-N
MW407.39 g/mol
LogP6.51
Rot. Bonds3

About 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol

4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (PubChem CID 141068099) has the molecular formula C24H16F3NO2 and a molecular weight of 407.39 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
PubChem CID141068099
Molecular FormulaC24H16F3NO2
Molecular Weight407.39 g/mol
Exact Mass407.11
IUPAC Name4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C24H16F3NO2/c25-24(26,27)19-3-1-2-17(12-19)18-13-22(15-4-8-20(29)9-5-15)28-23(14-18)16-6-10-21(30)11-7-16/h1-14,29-30H
InChIKeyVOSXKTXIBWTZQO-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

Analyze 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol (CID 141068099) is 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
The InChIKey is VOSXKTXIBWTZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO2/c25-24(26,27)19-3-1-2-17(12-19)18-13-22(15-4-8-20(29)9-5-15)28-23(14-18)16-6-10-21(30)11-7-16/h1-14,29-30H.
What are the key properties of 4-[6-(4-hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol?
4-[6-(4-hydroxyphenyl)-4-[3-(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-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 141068099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).