1-phenylselanylethyl acetate

C10H12O2Se — CID 10354412

IUPAC1-phenylselanylethyl acetate
SMILESCC(=O)OC(C)[Se]c1ccccc1
InChIInChI=1S/C10H12O2Se/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyPBYNJPNVTCVUHU-UHFFFAOYSA-N
MW243.16 g/mol
LogP0.93
Rot. Bonds3

About 1-phenylselanylethyl acetate

1-phenylselanylethyl acetate (PubChem CID 10354412) has the molecular formula C10H12O2Se and a molecular weight of 243.16 g/mol. Its IUPAC name is 1-phenylselanylethyl acetate.

Molecular Properties

Compound Name1-phenylselanylethyl acetate
PubChem CID10354412
Molecular FormulaC10H12O2Se
Molecular Weight243.16 g/mol
Exact Mass244.00
IUPAC Name1-phenylselanylethyl acetate
SMILESCC(=O)OC(C)[Se]c1ccccc1
InChIInChI=1S/C10H12O2Se/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeyPBYNJPNVTCVUHU-UHFFFAOYSA-N
XLogP0.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.93
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

Phenylmercuric Acetate
CID 16682730
Phenylmercuric propionate
CID 16682932
Acetoxy phenylmercury
CID 9905811
Plumbane, tris(acetyloxy)phenyl-
CID 16683284
Propanal, 2-(phenylseleno)-
CID 356062
Phenylmercuric ammonium acetate
CID 16683079
Stannane, acetoxydiethylphenyl-
CID 16684174
Propanedioic acid, (phenylseleno)-, diethyl ester
CID 11404259
Acetic acid, fluoro(phenylseleno)-, ethyl ester
CID 11184547
Ethyl 2,2-difluoro-2-(phenylselanyl)acetate
CID 11471472
2-Phenylselenoacetic acid
CID 10976833
Methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate
CID 2785200

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanylethyl acetate?
The IUPAC name of 1-phenylselanylethyl acetate (CID 10354412) is 1-phenylselanylethyl acetate.
What is the SMILES notation for 1-phenylselanylethyl acetate?
The canonical SMILES for 1-phenylselanylethyl acetate is CC(=O)OC(C)[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanylethyl acetate?
The InChIKey is PBYNJPNVTCVUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Se/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h3-7,9H,1-2H3.
What are the key properties of 1-phenylselanylethyl acetate?
1-phenylselanylethyl acetate has a molecular weight of 243.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylethyl acetate is sourced from PubChem (CID 10354412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).