[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium

C26H24ClOP2+ — CID 23415394

IUPAC[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)C(Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClOP2/c1-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(27)30(28,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21,26H,1H3/q+1
InChIKeyLGFXEBHZSNPKII-UHFFFAOYSA-N
MW449.88 g/mol
LogP5.82
Rot. Bonds6

About [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium

[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium (PubChem CID 23415394) has the molecular formula C26H24ClOP2+ and a molecular weight of 449.88 g/mol. Its IUPAC name is [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium
PubChem CID23415394
Molecular FormulaC26H24ClOP2+
Molecular Weight449.88 g/mol
Exact Mass449.10
IUPAC Name[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)C(Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClOP2/c1-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(27)30(28,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21,26H,1H3/q+1
InChIKeyLGFXEBHZSNPKII-UHFFFAOYSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.88
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
4-diphenylphosphorylpentan-2-one
CID 13202508
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
CID 11002796
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium
CID 98526281
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
2-(1-diphenylphosphorylethyl)pyridine
CID 15841923
[2-methylpropyl(phenyl)phosphoryl]benzene
CID 23416687
1-diphenylphosphorylpropoxy(trimethyl)silane
CID 12930453

Frequently Asked Questions

What is the IUPAC name of [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium?
The IUPAC name of [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium (CID 23415394) is [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium?
The canonical SMILES for [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)C(Cl)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium?
The InChIKey is LGFXEBHZSNPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClOP2/c1-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26(27)30(28,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21,26H,1H3/q+1.
What are the key properties of [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium?
[chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium has a molecular weight of 449.88 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diphenylphosphoryl)methyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 23415394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).