hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium

C9H8O6P+ — CID 87104290

IUPAChydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium
SMILESO=C(CC(=O)c1ccccc1)OO[P+](=O)O
InChIInChI=1S/C9H7O6P/c10-8(7-4-2-1-3-5-7)6-9(11)14-15-16(12)13/h1-5H,6H2/p+1
InChIKeyFWZIIKXVWLLERY-UHFFFAOYSA-O
MW243.13 g/mol
LogP1.38
Rot. Bonds5

About hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium

hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium (PubChem CID 87104290) has the molecular formula C9H8O6P+ and a molecular weight of 243.13 g/mol. Its IUPAC name is hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium
PubChem CID87104290
Molecular FormulaC9H8O6P+
Molecular Weight243.13 g/mol
Exact Mass243.01
IUPAC Namehydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium
SMILESO=C(CC(=O)c1ccccc1)OO[P+](=O)O
InChIInChI=1S/C9H7O6P/c10-8(7-4-2-1-3-5-7)6-9(11)14-15-16(12)13/h1-5H,6H2/p+1
InChIKeyFWZIIKXVWLLERY-UHFFFAOYSA-O
XLogP1.38
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
ethane;phenyl 3-oxo-3-phenylpropanoate
CID 91400394
CID 6332799
CID 6332799
(diaminomethylideneamino) 3-oxo-3-phenylpropanoate
CID 174282226
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
2-phenacyloxy-1-phenylethanone
CID 12781821
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
4-[2-[2-[2-(2,4-dioxo-4-phenylbutoxy)ethoxy]ethoxy]ethoxy]-1-phenylbutane-1,3-dione
CID 101062104
phenacyloxymethyl 3-(4-methylphenyl)-3-oxopropanoate
CID 175385549
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium?
The IUPAC name of hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium (CID 87104290) is hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium.
What is the SMILES notation for hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium?
The canonical SMILES for hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium is O=C(CC(=O)c1ccccc1)OO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium?
The InChIKey is FWZIIKXVWLLERY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7O6P/c10-8(7-4-2-1-3-5-7)6-9(11)14-15-16(12)13/h1-5H,6H2/p+1.
What are the key properties of hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium?
hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium has a molecular weight of 243.13 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(3-oxo-3-phenylpropanoyl)peroxyphosphanium is sourced from PubChem (CID 87104290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).