2-cyano-4-(2-phenylphenyl)butanoic acid

C17H15NO2 — CID 154425646

IUPAC2-cyano-4-(2-phenylphenyl)butanoic acid
SMILESN#CC(CCc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H15NO2/c18-12-15(17(19)20)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,19,20)
InChIKeyKLFRHUPZRHBYEH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.51
Rot. Bonds5

About 2-cyano-4-(2-phenylphenyl)butanoic acid

2-cyano-4-(2-phenylphenyl)butanoic acid (PubChem CID 154425646) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyano-4-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-cyano-4-(2-phenylphenyl)butanoic acid
PubChem CID154425646
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-cyano-4-(2-phenylphenyl)butanoic acid
SMILESN#CC(CCc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H15NO2/c18-12-15(17(19)20)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,19,20)
InChIKeyKLFRHUPZRHBYEH-UHFFFAOYSA-N
XLogP3.51
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(2-phenylphenyl)butanoic acid?
The IUPAC name of 2-cyano-4-(2-phenylphenyl)butanoic acid (CID 154425646) is 2-cyano-4-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-cyano-4-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 2-cyano-4-(2-phenylphenyl)butanoic acid is N#CC(CCc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-cyano-4-(2-phenylphenyl)butanoic acid?
The InChIKey is KLFRHUPZRHBYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c18-12-15(17(19)20)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,19,20).
What are the key properties of 2-cyano-4-(2-phenylphenyl)butanoic acid?
2-cyano-4-(2-phenylphenyl)butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 154425646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).