[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene

C17H21O3PSe2 — CID 11059605

IUPAC[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
SMILESCCOP(=O)(OCC)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H21O3PSe2/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyOPDCAVBBIDWXBN-UHFFFAOYSA-N
MW462.25 g/mol
LogP2.60
Rot. Bonds9

About [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene

[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene (PubChem CID 11059605) has the molecular formula C17H21O3PSe2 and a molecular weight of 462.25 g/mol. Its IUPAC name is [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene.

Molecular Properties

Compound Name[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
PubChem CID11059605
Molecular FormulaC17H21O3PSe2
Molecular Weight462.25 g/mol
Exact Mass463.96
IUPAC Name[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene
SMILESCCOP(=O)(OCC)C([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H21O3PSe2/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyOPDCAVBBIDWXBN-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 40511910
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene?
The IUPAC name of [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene (CID 11059605) is [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene.
What is the SMILES notation for [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene?
The canonical SMILES for [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene is CCOP(=O)(OCC)C([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene?
The InChIKey is OPDCAVBBIDWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O3PSe2/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3.
What are the key properties of [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene?
[diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene has a molecular weight of 462.25 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(phenylselanyl)methyl]selanylbenzene is sourced from PubChem (CID 11059605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).