2-(3-(125I)iodophenyl)butanoic acid

C10H11IO2 — CID 13147476

IUPAC2-(3-(125I)iodophenyl)butanoic acid
SMILESCCC(C(=O)O)c1cccc([125I])c1
InChIInChI=1S/C10H11IO2/c1-2-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)/i11-2
InChIKeyGCGQPMHZIDSAES-GQCOAOBCSA-N
MW288.10 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-(125I)iodophenyl)butanoic acid

2-(3-(125I)iodophenyl)butanoic acid (PubChem CID 13147476) has the molecular formula C10H11IO2 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-(3-(125I)iodophenyl)butanoic acid.

Molecular Properties

Compound Name2-(3-(125I)iodophenyl)butanoic acid
PubChem CID13147476
Molecular FormulaC10H11IO2
Molecular Weight288.10 g/mol
Exact Mass287.98
IUPAC Name2-(3-(125I)iodophenyl)butanoic acid
SMILESCCC(C(=O)O)c1cccc([125I])c1
InChIInChI=1S/C10H11IO2/c1-2-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)/i11-2
InChIKeyGCGQPMHZIDSAES-GQCOAOBCSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-sulfanylphenyl)butanoic acid
CID 22341621
2-(3-propylphenyl)butanoic acid
CID 116545486
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
2-[3-(ethoxyamino)phenyl]butanoic acid
CID 176990495
2-(3-propoxyphenyl)butanoic acid
CID 54432962
2-naphthalen-2-ylbutanoic acid
CID 27266
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794
2-[3-(cyclohexa-1,5-diene-1-carbonyl)phenyl]butanoic acid
CID 155066506
2-[3-(oxolan-3-yl)phenyl]butanoic acid
CID 171058887
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-(4-sulfanylphenyl)butanoic acid
CID 19823895

Frequently Asked Questions

What is the IUPAC name of 2-(3-(125I)iodophenyl)butanoic acid?
The IUPAC name of 2-(3-(125I)iodophenyl)butanoic acid (CID 13147476) is 2-(3-(125I)iodophenyl)butanoic acid.
What is the SMILES notation for 2-(3-(125I)iodophenyl)butanoic acid?
The canonical SMILES for 2-(3-(125I)iodophenyl)butanoic acid is CCC(C(=O)O)c1cccc([125I])c1.
What is the InChIKey of 2-(3-(125I)iodophenyl)butanoic acid?
The InChIKey is GCGQPMHZIDSAES-GQCOAOBCSA-N. The full InChI is InChI=1S/C10H11IO2/c1-2-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)/i11-2.
What are the key properties of 2-(3-(125I)iodophenyl)butanoic acid?
2-(3-(125I)iodophenyl)butanoic acid has a molecular weight of 288.10 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-(125I)iodophenyl)butanoic acid is sourced from PubChem (CID 13147476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).