4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid

C26H20FNO2 — CID 67337279

IUPAC4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1CCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H20FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-4,6-7,9-17H,5,8H2,(H,29,30)
InChIKeyVNSWGYQGOHSWLO-UHFFFAOYSA-N
MW397.45 g/mol
LogP6.04
Rot. Bonds6

About 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid

4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid (PubChem CID 67337279) has the molecular formula C26H20FNO2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid
PubChem CID67337279
Molecular FormulaC26H20FNO2
Molecular Weight397.45 g/mol
Exact Mass397.15
IUPAC Name4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)cc2)cc1CCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H20FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-4,6-7,9-17H,5,8H2,(H,29,30)
InChIKeyVNSWGYQGOHSWLO-UHFFFAOYSA-N
XLogP6.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid 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-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid (CID 67337279) is 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid is O=C(O)c1ccc(-c2ccc(F)cc2)cc1CCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid?
The InChIKey is VNSWGYQGOHSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO2/c27-24-12-9-19(10-13-24)21-11-14-25(26(29)30)22(16-21)8-5-18-3-6-20(7-4-18)23-2-1-15-28-17-23/h1-4,6-7,9-17H,5,8H2,(H,29,30).
What are the key properties of 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid?
4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid has a molecular weight of 397.45 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(4-pyridin-3-ylphenyl)ethyl]benzoic acid is sourced from PubChem (CID 67337279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).