methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium

C8H11O3P2+ — CID 174783922

IUPACmethyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium
SMILESC[P+](=O)OP(C)(=O)c1ccccc1
InChIInChI=1S/C8H11O3P2/c1-12(9)11-13(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyGYBJFRBRVJYNBW-UHFFFAOYSA-N
MW217.12 g/mol
LogP2.61
Rot. Bonds3

About methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium

methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium (PubChem CID 174783922) has the molecular formula C8H11O3P2+ and a molecular weight of 217.12 g/mol. Its IUPAC name is methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium.

Molecular Properties

Compound Namemethyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium
PubChem CID174783922
Molecular FormulaC8H11O3P2+
Molecular Weight217.12 g/mol
Exact Mass217.02
IUPAC Namemethyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium
SMILESC[P+](=O)OP(C)(=O)c1ccccc1
InChIInChI=1S/C8H11O3P2/c1-12(9)11-13(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyGYBJFRBRVJYNBW-UHFFFAOYSA-N
XLogP2.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 52.61
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

methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
methyl(phenyl)phosphinic acid;zinc
CID 66618039
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
[methyl(phenyl)phosphoryl] 2,6-dimethylbenzoate
CID 54401918
CID 50986602
CID 50986602
phenylphosphonic acid;terbium
CID 175289814
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
diphenylphosphinic acid chloride
CID 53401992
[ethenyl(methyl)phosphoryl]benzene
CID 10920870

Frequently Asked Questions

What is the IUPAC name of methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium?
The IUPAC name of methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium (CID 174783922) is methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium.
What is the SMILES notation for methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium?
The canonical SMILES for methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium is C[P+](=O)OP(C)(=O)c1ccccc1.
What is the InChIKey of methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium?
The InChIKey is GYBJFRBRVJYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P2/c1-12(9)11-13(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1.
What are the key properties of methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium?
methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium has a molecular weight of 217.12 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium is sourced from PubChem (CID 174783922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).