ethyl 2-phenylselanylacetate

C10H12O2Se — CID 11042932

IUPACethyl 2-phenylselanylacetate
SMILESCCOC(=O)C[Se]c1ccccc1
InChIInChI=1S/C10H12O2Se/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyXQWGLHHVCVTOOC-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-phenylselanylacetate

ethyl 2-phenylselanylacetate (PubChem CID 11042932) has the molecular formula C10H12O2Se and a molecular weight of 243.16 g/mol. Its IUPAC name is ethyl 2-phenylselanylacetate.

Molecular Properties

Compound Nameethyl 2-phenylselanylacetate
PubChem CID11042932
Molecular FormulaC10H12O2Se
Molecular Weight243.16 g/mol
Exact Mass244.00
IUPAC Nameethyl 2-phenylselanylacetate
SMILESCCOC(=O)C[Se]c1ccccc1
InChIInChI=1S/C10H12O2Se/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyXQWGLHHVCVTOOC-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 16682730
CID 16682730
CID 16682932
CID 16682932
CID 9905811
CID 9905811
CID 16683284
CID 16683284
CID 356062
CID 356062
CID 16683079
CID 16683079
CID 16684174
CID 16684174
CID 11404259
CID 11404259
CID 11184547
CID 11184547
CID 11471472
CID 11471472
CID 10976833
CID 10976833
CID 2785200
CID 2785200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylselanylacetate?
The IUPAC name of ethyl 2-phenylselanylacetate (CID 11042932) is ethyl 2-phenylselanylacetate.
What is the SMILES notation for ethyl 2-phenylselanylacetate?
The canonical SMILES for ethyl 2-phenylselanylacetate is CCOC(=O)C[Se]c1ccccc1.
What is the InChIKey of ethyl 2-phenylselanylacetate?
The InChIKey is XQWGLHHVCVTOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Se/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-phenylselanylacetate?
ethyl 2-phenylselanylacetate has a molecular weight of 243.16 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylselanylacetate is sourced from PubChem (CID 11042932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).