1,1-bis(phenylselanyl)propan-2-one

C15H14OSe2 — CID 14974786

IUPAC1,1-bis(phenylselanyl)propan-2-one
SMILESCC(=O)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H14OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKeyNZSSNBZCXJBLLG-UHFFFAOYSA-N
MW368.20 g/mol
LogP1.38
Rot. Bonds5

About 1,1-bis(phenylselanyl)propan-2-one

1,1-bis(phenylselanyl)propan-2-one (PubChem CID 14974786) has the molecular formula C15H14OSe2 and a molecular weight of 368.20 g/mol. Its IUPAC name is 1,1-bis(phenylselanyl)propan-2-one.

Molecular Properties

Compound Name1,1-bis(phenylselanyl)propan-2-one
PubChem CID14974786
Molecular FormulaC15H14OSe2
Molecular Weight368.20 g/mol
Exact Mass369.94
IUPAC Name1,1-bis(phenylselanyl)propan-2-one
SMILESCC(=O)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H14OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKeyNZSSNBZCXJBLLG-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phenylselanyl)propan-2-one?
The IUPAC name of 1,1-bis(phenylselanyl)propan-2-one (CID 14974786) is 1,1-bis(phenylselanyl)propan-2-one.
What is the SMILES notation for 1,1-bis(phenylselanyl)propan-2-one?
The canonical SMILES for 1,1-bis(phenylselanyl)propan-2-one is CC(=O)C([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of 1,1-bis(phenylselanyl)propan-2-one?
The InChIKey is NZSSNBZCXJBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OSe2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-11,15H,1H3.
What are the key properties of 1,1-bis(phenylselanyl)propan-2-one?
1,1-bis(phenylselanyl)propan-2-one has a molecular weight of 368.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phenylselanyl)propan-2-one is sourced from PubChem (CID 14974786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).