2-(4-chlorophenyl)selanylpropanoic acid

C9H9ClO2Se — CID 155569872

IUPAC2-(4-chlorophenyl)selanylpropanoic acid
SMILESCC([Se]c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H9ClO2Se/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyGMLVSFODIBVQOI-UHFFFAOYSA-N
MW263.58 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-chlorophenyl)selanylpropanoic acid

2-(4-chlorophenyl)selanylpropanoic acid (PubChem CID 155569872) has the molecular formula C9H9ClO2Se and a molecular weight of 263.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)selanylpropanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)selanylpropanoic acid
PubChem CID155569872
Molecular FormulaC9H9ClO2Se
Molecular Weight263.58 g/mol
Exact Mass263.95
IUPAC Name2-(4-chlorophenyl)selanylpropanoic acid
SMILESCC([Se]c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H9ClO2Se/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyGMLVSFODIBVQOI-UHFFFAOYSA-N
XLogP1.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.58
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)selanylpropanoic acid?
The IUPAC name of 2-(4-chlorophenyl)selanylpropanoic acid (CID 155569872) is 2-(4-chlorophenyl)selanylpropanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)selanylpropanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)selanylpropanoic acid is CC([Se]c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-(4-chlorophenyl)selanylpropanoic acid?
The InChIKey is GMLVSFODIBVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2Se/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)selanylpropanoic acid?
2-(4-chlorophenyl)selanylpropanoic acid has a molecular weight of 263.58 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)selanylpropanoic acid is sourced from PubChem (CID 155569872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).