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

C16H15IO2 — CID 154425626

IUPAC2-iodo-4-(2-phenylphenyl)butanoic acid
SMILESO=C(O)C(I)CCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15IO2/c17-15(16(18)19)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,19)
InChIKeyZCXCDKNVWBZYLK-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.17
Rot. Bonds5

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

2-iodo-4-(2-phenylphenyl)butanoic acid (PubChem CID 154425626) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-iodo-4-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-iodo-4-(2-phenylphenyl)butanoic acid
PubChem CID154425626
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name2-iodo-4-(2-phenylphenyl)butanoic acid
SMILESO=C(O)C(I)CCc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15IO2/c17-15(16(18)19)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,19)
InChIKeyZCXCDKNVWBZYLK-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-iodo-4-(2-phenylphenyl)butanoic 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-iodo-4-(2-phenylphenyl)butanoic acid?
The IUPAC name of 2-iodo-4-(2-phenylphenyl)butanoic acid (CID 154425626) is 2-iodo-4-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-iodo-4-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 2-iodo-4-(2-phenylphenyl)butanoic acid is O=C(O)C(I)CCc1ccccc1-c1ccccc1.
What is the InChIKey of 2-iodo-4-(2-phenylphenyl)butanoic acid?
The InChIKey is ZCXCDKNVWBZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c17-15(16(18)19)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,18,19).
What are the key properties of 2-iodo-4-(2-phenylphenyl)butanoic acid?
2-iodo-4-(2-phenylphenyl)butanoic acid has a molecular weight of 366.20 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 154425626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).