3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid

C20H17NO2 — CID 171697660

IUPAC3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C20H17NO2/c22-20(23)12-5-15-3-6-16(7-4-15)17-8-10-18(11-9-17)19-2-1-13-21-14-19/h1-4,6-11,13-14H,5,12H2,(H,22,23)
InChIKeyRYBZIFZFTVULMN-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.43
Rot. Bonds5

About 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid

3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid (PubChem CID 171697660) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
PubChem CID171697660
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C20H17NO2/c22-20(23)12-5-15-3-6-16(7-4-15)17-8-10-18(11-9-17)19-2-1-13-21-14-19/h1-4,6-11,13-14H,5,12H2,(H,22,23)
InChIKeyRYBZIFZFTVULMN-UHFFFAOYSA-N
XLogP4.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
CID 70505959
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-azulen-6-ylpyridine
CID 86232079
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
CID 70490518

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid (CID 171697660) is 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
The InChIKey is RYBZIFZFTVULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(23)12-5-15-3-6-16(7-4-15)17-8-10-18(11-9-17)19-2-1-13-21-14-19/h1-4,6-11,13-14H,5,12H2,(H,22,23).
What are the key properties of 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid?
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid has a molecular weight of 303.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 171697660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).