2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one

C20H25O4PSe — CID 101257767

IUPAC2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one
SMILESCCOP(=O)(OCC)[Se]C(C)(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H25O4PSe/c1-4-23-25(22,24-5-2)26-20(3,16-17-12-8-6-9-13-17)19(21)18-14-10-7-11-15-18/h6-15H,4-5,16H2,1-3H3
InChIKeyIGRFJXBDZKSAAZ-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.18
Rot. Bonds10

About 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one

2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one (PubChem CID 101257767) has the molecular formula C20H25O4PSe and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one
PubChem CID101257767
Molecular FormulaC20H25O4PSe
Molecular Weight439.35 g/mol
Exact Mass440.07
IUPAC Name2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one
SMILESCCOP(=O)(OCC)[Se]C(C)(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H25O4PSe/c1-4-23-25(22,24-5-2)26-20(3,16-17-12-8-6-9-13-17)19(21)18-14-10-7-11-15-18/h6-15H,4-5,16H2,1-3H3
InChIKeyIGRFJXBDZKSAAZ-UHFFFAOYSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
2-diethoxyphosphoryl-2-methyl-1-phenylhexan-1-one
CID 42646894
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
2-di(propan-2-yloxy)phosphorylsulfanyl-2-methyl-1,3-diphenylpropan-1-one
CID 11223893
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
N-(2,2-dichloro-1-diethoxyphosphoryl-3-oxo-3-phenylpropyl)acetamide
CID 2784690
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
methyl 2-benzyl-4-diethoxyphosphoryl-2-methyl-3-oxopentanoate
CID 88978557
(2S)-2,4-diamino-2-benzyl-1-diethoxyphosphorylbutane-1,3-dione
CID 154429680

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one?
The IUPAC name of 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one (CID 101257767) is 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one is CCOP(=O)(OCC)[Se]C(C)(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one?
The InChIKey is IGRFJXBDZKSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O4PSe/c1-4-23-25(22,24-5-2)26-20(3,16-17-12-8-6-9-13-17)19(21)18-14-10-7-11-15-18/h6-15H,4-5,16H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one?
2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one has a molecular weight of 439.35 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 101257767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).