2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one

C9H8O4P+ — CID 175749962

IUPAC2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one
SMILESO=C1CO[P+](=O)OC1c1ccccc1
InChIInChI=1S/C9H8O4P/c10-8-6-12-14(11)13-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2/q+1
InChIKeyMCISREYVMNWDPK-UHFFFAOYSA-N
MW211.13 g/mol
LogP2.00
Rot. Bonds1

About 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one

2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one (PubChem CID 175749962) has the molecular formula C9H8O4P+ and a molecular weight of 211.13 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one.

Molecular Properties

Compound Name2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one
PubChem CID175749962
Molecular FormulaC9H8O4P+
Molecular Weight211.13 g/mol
Exact Mass211.02
IUPAC Name2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one
SMILESO=C1CO[P+](=O)OC1c1ccccc1
InChIInChI=1S/C9H8O4P/c10-8-6-12-14(11)13-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2/q+1
InChIKeyMCISREYVMNWDPK-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1,5-dihydro-2,4,3-benzodioxaphosphepin-3-ium 3-oxide
CID 130387772
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
CID 135564991
2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 18730132
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
2-phenyl-3-phenyltellanyl-2H-furan-5-one
CID 134932502
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
2,3-diphenylcyclododecane-1,4-dione
CID 101032541

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one?
The IUPAC name of 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one (CID 175749962) is 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one.
What is the SMILES notation for 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one?
The canonical SMILES for 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one is O=C1CO[P+](=O)OC1c1ccccc1.
What is the InChIKey of 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one?
The InChIKey is MCISREYVMNWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4P/c10-8-6-12-14(11)13-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2/q+1.
What are the key properties of 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one?
2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one has a molecular weight of 211.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1,3,2-dioxaphosphinan-2-ium-5-one is sourced from PubChem (CID 175749962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).