sodium phenoxy(phenyl)phosphinate

C12H10NaO3P — CID 161254659

IUPACsodium phenoxy(phenyl)phosphinate
SMILESO=P([O-])(Oc1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C12H11O3P.Na/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyVBSVSZGPQYMQOG-UHFFFAOYSA-M
MW256.17 g/mol
LogP-1.05
Rot. Bonds3

About sodium phenoxy(phenyl)phosphinate

sodium phenoxy(phenyl)phosphinate (PubChem CID 161254659) has the molecular formula C12H10NaO3P and a molecular weight of 256.17 g/mol. Its IUPAC name is sodium phenoxy(phenyl)phosphinate.

Molecular Properties

Compound Namesodium phenoxy(phenyl)phosphinate
PubChem CID161254659
Molecular FormulaC12H10NaO3P
Molecular Weight256.17 g/mol
Exact Mass256.03
IUPAC Namesodium phenoxy(phenyl)phosphinate
SMILESO=P([O-])(Oc1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C12H11O3P.Na/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;/h1-10H,(H,13,14);/q;+1/p-1
InChIKeyVBSVSZGPQYMQOG-UHFFFAOYSA-M
XLogP-1.05
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 5-1.05
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

disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
chloro(phenoxy)phosphinate
CID 71354399
potassium methoxy(phenyl)phosphinate
CID 141246459
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
cesium phenyl hydrogen phosphate
CID 175568082
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
zinc ethyl(phenoxy)phosphinate
CID 118975861

Frequently Asked Questions

What is the IUPAC name of sodium phenoxy(phenyl)phosphinate?
The IUPAC name of sodium phenoxy(phenyl)phosphinate (CID 161254659) is sodium phenoxy(phenyl)phosphinate.
What is the SMILES notation for sodium phenoxy(phenyl)phosphinate?
The canonical SMILES for sodium phenoxy(phenyl)phosphinate is O=P([O-])(Oc1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium phenoxy(phenyl)phosphinate?
The InChIKey is VBSVSZGPQYMQOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O3P.Na/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;/h1-10H,(H,13,14);/q;+1/p-1.
What are the key properties of sodium phenoxy(phenyl)phosphinate?
sodium phenoxy(phenyl)phosphinate has a molecular weight of 256.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phenoxy(phenyl)phosphinate is sourced from PubChem (CID 161254659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).