Se-phenyl ethaneselenoate

C8H8OSe — CID 10750491

IUPACSe-phenyl ethaneselenoate
SMILESCC(=O)[Se]c1ccccc1
InChIInChI=1S/C8H8OSe/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVUYIHFFTXQACLH-UHFFFAOYSA-N
MW199.11 g/mol
LogP0.56
Rot. Bonds2

About Se-phenyl ethaneselenoate

Se-phenyl ethaneselenoate (PubChem CID 10750491) has the molecular formula C8H8OSe and a molecular weight of 199.11 g/mol. Its IUPAC name is Se-phenyl ethaneselenoate.

Molecular Properties

Compound NameSe-phenyl ethaneselenoate
PubChem CID10750491
Molecular FormulaC8H8OSe
Molecular Weight199.11 g/mol
Exact Mass199.97
IUPAC NameSe-phenyl ethaneselenoate
SMILESCC(=O)[Se]c1ccccc1
InChIInChI=1S/C8H8OSe/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVUYIHFFTXQACLH-UHFFFAOYSA-N
XLogP0.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenylmercuric Acetate
CID 16682730
Stannane, trimethylphenyl-
CID 123095
Phenylmercuric propionate
CID 16682932
Formocresol
CID 156614093
Methyl phenyl selenide
CID 78050
Phenyltrimethylgermane
CID 137121
Acetoxy phenylmercury
CID 9905811
Ethyl phenyl selenone
CID 130447
Benzeneselenenic acid
CID 15579745
Plumbane, tris(acetyloxy)phenyl-
CID 16683284
1-Phenylselanylpropan-2-ol
CID 11183499
Propanal, 2-(phenylseleno)-
CID 356062

Frequently Asked Questions

What is the IUPAC name of Se-phenyl ethaneselenoate?
The IUPAC name of Se-phenyl ethaneselenoate (CID 10750491) is Se-phenyl ethaneselenoate.
What is the SMILES notation for Se-phenyl ethaneselenoate?
The canonical SMILES for Se-phenyl ethaneselenoate is CC(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl ethaneselenoate?
The InChIKey is VUYIHFFTXQACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OSe/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of Se-phenyl ethaneselenoate?
Se-phenyl ethaneselenoate has a molecular weight of 199.11 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl ethaneselenoate is sourced from PubChem (CID 10750491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).