lithium 4-acetyl-2-diphenylphosphorylphenolate

C20H16LiO3P — CID 177124886

IUPAClithium 4-acetyl-2-diphenylphosphorylphenolate
SMILESCC(=O)c1ccc([O-])c(P(=O)(c2ccccc2)c2ccccc2)c1.[Li+]
InChIInChI=1S/C20H17O3P.Li/c1-15(21)16-12-13-19(22)20(14-16)24(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-14,22H,1H3;/q;+1/p-1
InChIKeyZFQPSDVECJUOHX-UHFFFAOYSA-M
MW342.26 g/mol
LogP-0.39
Rot. Bonds4

About lithium 4-acetyl-2-diphenylphosphorylphenolate

lithium 4-acetyl-2-diphenylphosphorylphenolate (PubChem CID 177124886) has the molecular formula C20H16LiO3P and a molecular weight of 342.26 g/mol. Its IUPAC name is lithium 4-acetyl-2-diphenylphosphorylphenolate.

Molecular Properties

Compound Namelithium 4-acetyl-2-diphenylphosphorylphenolate
PubChem CID177124886
Molecular FormulaC20H16LiO3P
Molecular Weight342.26 g/mol
Exact Mass342.10
IUPAC Namelithium 4-acetyl-2-diphenylphosphorylphenolate
SMILESCC(=O)c1ccc([O-])c(P(=O)(c2ccccc2)c2ccccc2)c1.[Li+]
InChIInChI=1S/C20H17O3P.Li/c1-15(21)16-12-13-19(22)20(14-16)24(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-14,22H,1H3;/q;+1/p-1
InChIKeyZFQPSDVECJUOHX-UHFFFAOYSA-M
XLogP-0.39
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphorylphenol
CID 626229
4-acetyl-2-iodophenolate
CID 154609369
lithium 1-phenylethanone
CID 22269591
N-(2-diphenylphosphorylphenyl)acetamide
CID 71531508
potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate
CID 23683368
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
sodium 4-acetyl-2-nitrophenolate
CID 158587086
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
iron;1-phenylethanone
CID 70488357
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
diphenylphosphorylbenzene;terbium
CID 86595283

Frequently Asked Questions

What is the IUPAC name of lithium 4-acetyl-2-diphenylphosphorylphenolate?
The IUPAC name of lithium 4-acetyl-2-diphenylphosphorylphenolate (CID 177124886) is lithium 4-acetyl-2-diphenylphosphorylphenolate.
What is the SMILES notation for lithium 4-acetyl-2-diphenylphosphorylphenolate?
The canonical SMILES for lithium 4-acetyl-2-diphenylphosphorylphenolate is CC(=O)c1ccc([O-])c(P(=O)(c2ccccc2)c2ccccc2)c1.[Li+].
What is the InChIKey of lithium 4-acetyl-2-diphenylphosphorylphenolate?
The InChIKey is ZFQPSDVECJUOHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17O3P.Li/c1-15(21)16-12-13-19(22)20(14-16)24(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-14,22H,1H3;/q;+1/p-1.
What are the key properties of lithium 4-acetyl-2-diphenylphosphorylphenolate?
lithium 4-acetyl-2-diphenylphosphorylphenolate has a molecular weight of 342.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-acetyl-2-diphenylphosphorylphenolate is sourced from PubChem (CID 177124886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).