magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate

C20H14MgO6P2 — CID 178174318

IUPACmagnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate
SMILESO=C(c1ccc(C(=O)P(=O)([O-])c2ccccc2)cc1)P(=O)([O-])c1ccccc1.[Mg+2]
InChIInChI=1S/C20H16O6P2.Mg/c21-19(27(23,24)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)28(25,26)18-9-5-2-6-10-18;/h1-14H,(H,23,24)(H,25,26);/q;+2/p-2
InChIKeyXUNKOHDZUPSXGV-UHFFFAOYSA-L
MW436.58 g/mol
LogP1.51
Rot. Bonds6

About magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate

magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate (PubChem CID 178174318) has the molecular formula C20H14MgO6P2 and a molecular weight of 436.58 g/mol. Its IUPAC name is magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate.

Molecular Properties

Compound Namemagnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate
PubChem CID178174318
Molecular FormulaC20H14MgO6P2
Molecular Weight436.58 g/mol
Exact Mass436.01
IUPAC Namemagnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate
SMILESO=C(c1ccc(C(=O)P(=O)([O-])c2ccccc2)cc1)P(=O)([O-])c1ccccc1.[Mg+2]
InChIInChI=1S/C20H16O6P2.Mg/c21-19(27(23,24)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)28(25,26)18-9-5-2-6-10-18;/h1-14H,(H,23,24)(H,25,26);/q;+2/p-2
InChIKeyXUNKOHDZUPSXGV-UHFFFAOYSA-L
XLogP1.51
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
diphenylphosphinothioyl(phenyl)methanone
CID 54293875
tetrakis(benzoyl-(2,3,4-trimethylphenyl)phosphinate);titanium(4+)
CID 140650949
lithium diphenylphosphinate
CID 23680317
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
tripotassium;benzoic acid;phosphate
CID 174758799
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
CID 175055456
diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
CID 152573672
magnesium;diphenylmethanone;hydride
CID 175114327
[3-[hydroxy(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinic acid
CID 178174312

Frequently Asked Questions

What is the IUPAC name of magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate?
The IUPAC name of magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate (CID 178174318) is magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate.
What is the SMILES notation for magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate?
The canonical SMILES for magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate is O=C(c1ccc(C(=O)P(=O)([O-])c2ccccc2)cc1)P(=O)([O-])c1ccccc1.[Mg+2].
What is the InChIKey of magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate?
The InChIKey is XUNKOHDZUPSXGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16O6P2.Mg/c21-19(27(23,24)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)28(25,26)18-9-5-2-6-10-18;/h1-14H,(H,23,24)(H,25,26);/q;+2/p-2.
What are the key properties of magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate?
magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate has a molecular weight of 436.58 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [4-[oxido(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinate is sourced from PubChem (CID 178174318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).