methyl 4-chlorobenzeneselenonate

C7H7ClO3Se — CID 581423

IUPACmethyl 4-chlorobenzeneselenonate
SMILESCO[Se](=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO3Se/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyXPIABWAVOUUMFR-UHFFFAOYSA-N
MW253.54 g/mol
LogP0.99
Rot. Bonds2

About methyl 4-chlorobenzeneselenonate

methyl 4-chlorobenzeneselenonate (PubChem CID 581423) has the molecular formula C7H7ClO3Se and a molecular weight of 253.54 g/mol. Its IUPAC name is methyl 4-chlorobenzeneselenonate.

Molecular Properties

Compound Namemethyl 4-chlorobenzeneselenonate
PubChem CID581423
Molecular FormulaC7H7ClO3Se
Molecular Weight253.54 g/mol
Exact Mass253.92
IUPAC Namemethyl 4-chlorobenzeneselenonate
SMILESCO[Se](=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO3Se/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyXPIABWAVOUUMFR-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.54
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-chlorobenzeneselenonate 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 methyl 4-chlorobenzeneselenonate?
The IUPAC name of methyl 4-chlorobenzeneselenonate (CID 581423) is methyl 4-chlorobenzeneselenonate.
What is the SMILES notation for methyl 4-chlorobenzeneselenonate?
The canonical SMILES for methyl 4-chlorobenzeneselenonate is CO[Se](=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 4-chlorobenzeneselenonate?
The InChIKey is XPIABWAVOUUMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3Se/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3.
What are the key properties of methyl 4-chlorobenzeneselenonate?
methyl 4-chlorobenzeneselenonate has a molecular weight of 253.54 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chlorobenzeneselenonate is sourced from PubChem (CID 581423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).