3-(4-phenyliodanuidylphenyl)propanoic acid

C15H14IO2- — CID 6400115

IUPAC3-(4-phenyliodanuidylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C15H14IO2/c17-15(18)11-8-12-6-9-14(10-7-12)16-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,18)/q-1
InChIKeyRHRLDJVYWFTTGY-UHFFFAOYSA-N
MW353.18 g/mol
LogP-0.17
Rot. Bonds5

About 3-(4-phenyliodanuidylphenyl)propanoic acid

3-(4-phenyliodanuidylphenyl)propanoic acid (PubChem CID 6400115) has the molecular formula C15H14IO2- and a molecular weight of 353.18 g/mol. Its IUPAC name is 3-(4-phenyliodanuidylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-phenyliodanuidylphenyl)propanoic acid
PubChem CID6400115
Molecular FormulaC15H14IO2-
Molecular Weight353.18 g/mol
Exact Mass353.00
IUPAC Name3-(4-phenyliodanuidylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C15H14IO2/c17-15(18)11-8-12-6-9-14(10-7-12)16-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,18)/q-1
InChIKeyRHRLDJVYWFTTGY-UHFFFAOYSA-N
XLogP-0.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyliodanuidylphenyl)propanoic acid?
The IUPAC name of 3-(4-phenyliodanuidylphenyl)propanoic acid (CID 6400115) is 3-(4-phenyliodanuidylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-phenyliodanuidylphenyl)propanoic acid?
The canonical SMILES for 3-(4-phenyliodanuidylphenyl)propanoic acid is O=C(O)CCc1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenyliodanuidylphenyl)propanoic acid?
The InChIKey is RHRLDJVYWFTTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IO2/c17-15(18)11-8-12-6-9-14(10-7-12)16-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,18)/q-1.
What are the key properties of 3-(4-phenyliodanuidylphenyl)propanoic acid?
3-(4-phenyliodanuidylphenyl)propanoic acid has a molecular weight of 353.18 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyliodanuidylphenyl)propanoic acid is sourced from PubChem (CID 6400115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).