sodium phenoxyphosphinite

C6H6NaO2P — CID 70406728

IUPACsodium phenoxyphosphinite
SMILES[Na+].[O-]POc1ccccc1
InChIInChI=1S/C6H6O2P.Na/c7-9-8-6-4-2-1-3-5-6;/h1-5,9H;/q-1;+1
InChIKeyAMALSQNGRLASSJ-UHFFFAOYSA-N
MW164.08 g/mol
LogP-2.06
Rot. Bonds2

About sodium phenoxyphosphinite

sodium phenoxyphosphinite (PubChem CID 70406728) has the molecular formula C6H6NaO2P and a molecular weight of 164.08 g/mol. Its IUPAC name is sodium phenoxyphosphinite.

Molecular Properties

Compound Namesodium phenoxyphosphinite
PubChem CID70406728
Molecular FormulaC6H6NaO2P
Molecular Weight164.08 g/mol
Exact Mass164.00
IUPAC Namesodium phenoxyphosphinite
SMILES[Na+].[O-]POc1ccccc1
InChIInChI=1S/C6H6O2P.Na/c7-9-8-6-4-2-1-3-5-6;/h1-5,9H;/q-1;+1
InChIKeyAMALSQNGRLASSJ-UHFFFAOYSA-N
XLogP-2.06
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 5-2.06
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

diphenoxyphosphane chloride
CID 19706010
phenoxyphosphinothious acid
CID 88675706
potassium;hydride;phenylperoxybenzene
CID 174274599
potassium;hydride;phenoxybenzene
CID 173391576
phenoxybismuthane
CID 172997794
disodium;anisole;sulfite
CID 158776652
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
CID 71431251
sodium;anthracene;hydride
CID 173035649
sodium diphenyl phosphite
CID 23691846
anisole;trihydrofluoride
CID 174796385
O-phenylhydroxylamine;zirconium
CID 174144426
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of sodium phenoxyphosphinite?
The IUPAC name of sodium phenoxyphosphinite (CID 70406728) is sodium phenoxyphosphinite.
What is the SMILES notation for sodium phenoxyphosphinite?
The canonical SMILES for sodium phenoxyphosphinite is [Na+].[O-]POc1ccccc1.
What is the InChIKey of sodium phenoxyphosphinite?
The InChIKey is AMALSQNGRLASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2P.Na/c7-9-8-6-4-2-1-3-5-6;/h1-5,9H;/q-1;+1.
What are the key properties of sodium phenoxyphosphinite?
sodium phenoxyphosphinite has a molecular weight of 164.08 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phenoxyphosphinite is sourced from PubChem (CID 70406728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).