lithium;benzoyl-methyl-diphenylphosphanium;hydride

C20H19LiOP+ — CID 174385247

IUPAClithium;benzoyl-methyl-diphenylphosphanium;hydride
SMILESC[P+](C(=O)c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C20H18OP.Li.H/c1-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(21)17-11-5-2-6-12-17;;/h2-16H,1H3;;/q2*+1;-1
InChIKeyAZJXZXDYADGHMP-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.24
Rot. Bonds4

About lithium;benzoyl-methyl-diphenylphosphanium;hydride

lithium;benzoyl-methyl-diphenylphosphanium;hydride (PubChem CID 174385247) has the molecular formula C20H19LiOP+ and a molecular weight of 313.29 g/mol. Its IUPAC name is lithium;benzoyl-methyl-diphenylphosphanium;hydride.

Molecular Properties

Compound Namelithium;benzoyl-methyl-diphenylphosphanium;hydride
PubChem CID174385247
Molecular FormulaC20H19LiOP+
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Namelithium;benzoyl-methyl-diphenylphosphanium;hydride
SMILESC[P+](C(=O)c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C20H18OP.Li.H/c1-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(21)17-11-5-2-6-12-17;;/h2-16H,1H3;;/q2*+1;-1
InChIKeyAZJXZXDYADGHMP-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium;benzoyl-methyl-diphenylphosphanium;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl(diphenyl)phosphanium benzoate
CID 18355987
tribenzoyl(ethyl)phosphanium
CID 67361318
lithium 1-phenylethanone
CID 22269591
butane-2,3-diol;diphenylmethanone
CID 175235923
2-(2-methyl-1-phenylpropylidene)propanedioic acid
CID 90121781
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate
CID 54129051
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209
[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
CID 139198951
lithium;hydride;N-methylbenzamide
CID 173287348
benzamide;2,3-dimethylbutane
CID 162214835
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of lithium;benzoyl-methyl-diphenylphosphanium;hydride?
The IUPAC name of lithium;benzoyl-methyl-diphenylphosphanium;hydride (CID 174385247) is lithium;benzoyl-methyl-diphenylphosphanium;hydride.
What is the SMILES notation for lithium;benzoyl-methyl-diphenylphosphanium;hydride?
The canonical SMILES for lithium;benzoyl-methyl-diphenylphosphanium;hydride is C[P+](C(=O)c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;benzoyl-methyl-diphenylphosphanium;hydride?
The InChIKey is AZJXZXDYADGHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OP.Li.H/c1-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20(21)17-11-5-2-6-12-17;;/h2-16H,1H3;;/q2*+1;-1.
What are the key properties of lithium;benzoyl-methyl-diphenylphosphanium;hydride?
lithium;benzoyl-methyl-diphenylphosphanium;hydride has a molecular weight of 313.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzoyl-methyl-diphenylphosphanium;hydride is sourced from PubChem (CID 174385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).