2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one

C9H6O5P- — CID 21138866

IUPAC2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one
SMILESO=C1C=C(c2ccccc2)OP(=O)([O-])O1
InChIInChI=1S/C9H7O5P/c10-9-6-8(13-15(11,12)14-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1
InChIKeyVEZAQLRHJGJNFP-UHFFFAOYSA-M
MW225.12 g/mol
LogP1.07
Rot. Bonds1

About 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one

2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one (PubChem CID 21138866) has the molecular formula C9H6O5P- and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one.

Molecular Properties

Compound Name2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one
PubChem CID21138866
Molecular FormulaC9H6O5P-
Molecular Weight225.12 g/mol
Exact Mass225.00
IUPAC Name2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one
SMILESO=C1C=C(c2ccccc2)OP(=O)([O-])O1
InChIInChI=1S/C9H7O5P/c10-9-6-8(13-15(11,12)14-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1
InChIKeyVEZAQLRHJGJNFP-UHFFFAOYSA-M
XLogP1.07
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one?
The IUPAC name of 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one (CID 21138866) is 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one.
What is the SMILES notation for 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one?
The canonical SMILES for 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one is O=C1C=C(c2ccccc2)OP(=O)([O-])O1.
What is the InChIKey of 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one?
The InChIKey is VEZAQLRHJGJNFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7O5P/c10-9-6-8(13-15(11,12)14-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1.
What are the key properties of 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one?
2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one has a molecular weight of 225.12 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxido-2-oxo-6-phenyl-1,3,2λ5-dioxaphosphinin-4-one is sourced from PubChem (CID 21138866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).