2-phenylselanylpentan-3-one

C11H14OSe — CID 10868423

IUPAC2-phenylselanylpentan-3-one
SMILESCCC(=O)C(C)[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-3-11(12)9(2)13-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyQVARNPUAZRXRMP-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.80
Rot. Bonds4

About 2-phenylselanylpentan-3-one

2-phenylselanylpentan-3-one (PubChem CID 10868423) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-phenylselanylpentan-3-one.

Molecular Properties

Compound Name2-phenylselanylpentan-3-one
PubChem CID10868423
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Name2-phenylselanylpentan-3-one
SMILESCCC(=O)C(C)[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-3-11(12)9(2)13-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyQVARNPUAZRXRMP-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.80
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 propionate
CID 16682932
Ethyl phenyl selenone
CID 130447
Propanal, 2-(phenylseleno)-
CID 356062
2-Phenylselanylcyclohexa-2,5-diene-1,4-dione
CID 15215632
Ethylselenobenzene
CID 140285
Isopropyl selenobenzene
CID 140894
1,1,1-Trifluoro-3-phenylselanylpropan-2-one
CID 155554066
2-Cyclopenten-1-one, 2-(phenylseleno)-
CID 156243
1-Phenyl-4-phosphorinanone
CID 4460416
Methyl 2-phenylselanylpropanoate
CID 5323788
2-Propanone, 1-(phenylseleno)-
CID 5323798
Methyl phenyl selenoxide
CID 5325095

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylpentan-3-one?
The IUPAC name of 2-phenylselanylpentan-3-one (CID 10868423) is 2-phenylselanylpentan-3-one.
What is the SMILES notation for 2-phenylselanylpentan-3-one?
The canonical SMILES for 2-phenylselanylpentan-3-one is CCC(=O)C(C)[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylpentan-3-one?
The InChIKey is QVARNPUAZRXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OSe/c1-3-11(12)9(2)13-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-phenylselanylpentan-3-one?
2-phenylselanylpentan-3-one has a molecular weight of 241.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylpentan-3-one is sourced from PubChem (CID 10868423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).