lithium diphenylphosphinate

C12H10LiO2P — CID 23680317

IUPAClithium diphenylphosphinate
SMILESO=P([O-])(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C12H11O2P.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyNQLHDVQSVZURSH-UHFFFAOYSA-M
MW224.13 g/mol
LogP-1.72
Rot. Bonds2

About lithium diphenylphosphinate

lithium diphenylphosphinate (PubChem CID 23680317) has the molecular formula C12H10LiO2P and a molecular weight of 224.13 g/mol. Its IUPAC name is lithium diphenylphosphinate.

Molecular Properties

Compound Namelithium diphenylphosphinate
PubChem CID23680317
Molecular FormulaC12H10LiO2P
Molecular Weight224.13 g/mol
Exact Mass224.06
IUPAC Namelithium diphenylphosphinate
SMILESO=P([O-])(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C12H11O2P.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyNQLHDVQSVZURSH-UHFFFAOYSA-M
XLogP-1.72
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;diphenylphosphinate;oxolane
CID 139065490
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
CID 175055456
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
diphenylphosphorylbenzene;terbium
CID 86595283
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
potassium methoxy(phenyl)phosphinate
CID 141246459
1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
diphenylphosphorylazanide
CID 18705552
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
sodium phenoxy(phenyl)phosphinate
CID 161254659

Frequently Asked Questions

What is the IUPAC name of lithium diphenylphosphinate?
The IUPAC name of lithium diphenylphosphinate (CID 23680317) is lithium diphenylphosphinate.
What is the SMILES notation for lithium diphenylphosphinate?
The canonical SMILES for lithium diphenylphosphinate is O=P([O-])(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium diphenylphosphinate?
The InChIKey is NQLHDVQSVZURSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2P.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1.
What are the key properties of lithium diphenylphosphinate?
lithium diphenylphosphinate has a molecular weight of 224.13 g/mol, XLogP of -1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diphenylphosphinate is sourced from PubChem (CID 23680317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).