sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid

C15H16NaO4P — CID 174747864

IUPACsodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
SMILESO=C(CP(=O)(O)OCc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H15O4P.Na.H/c16-15(14-9-5-2-6-10-14)12-20(17,18)19-11-13-7-3-1-4-8-13;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1
InChIKeyCWUYILZSFIYAQB-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.39
Rot. Bonds6

About sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid

sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid (PubChem CID 174747864) has the molecular formula C15H16NaO4P and a molecular weight of 314.25 g/mol. Its IUPAC name is sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid.

Molecular Properties

Compound Namesodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
PubChem CID174747864
Molecular FormulaC15H16NaO4P
Molecular Weight314.25 g/mol
Exact Mass314.07
IUPAC Namesodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
SMILESO=C(CP(=O)(O)OCc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H15O4P.Na.H/c16-15(14-9-5-2-6-10-14)12-20(17,18)19-11-13-7-3-1-4-8-13;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1
InChIKeyCWUYILZSFIYAQB-UHFFFAOYSA-N
XLogP0.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
CID 12671866
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
2-dimethylphosphoryl-1-phenylethanone
CID 555432
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
CID 87885688
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
CID 87885614
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid?
The IUPAC name of sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid (CID 174747864) is sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid.
What is the SMILES notation for sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid?
The canonical SMILES for sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid is O=C(CP(=O)(O)OCc1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid?
The InChIKey is CWUYILZSFIYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O4P.Na.H/c16-15(14-9-5-2-6-10-14)12-20(17,18)19-11-13-7-3-1-4-8-13;;/h1-10H,11-12H2,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid?
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid has a molecular weight of 314.25 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid is sourced from PubChem (CID 174747864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).