2-(4-phenylphenyl)propanoic acid

C15H14O2 — CID 22810

IUPAC2-(4-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKeyJALUUBQFLPUJMY-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-phenylphenyl)propanoic acid

2-(4-phenylphenyl)propanoic acid (PubChem CID 22810) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)propanoic acid
PubChem CID22810
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-(4-phenylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKeyJALUUBQFLPUJMY-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-phenylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-(4-phenylphenyl)propanoic acid (CID 22810) is 2-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(4-phenylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)propanoic acid?
The InChIKey is JALUUBQFLPUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17).
What are the key properties of 2-(4-phenylphenyl)propanoic acid?
2-(4-phenylphenyl)propanoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 22810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).