bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium

C22H23O5P2+ — CID 155609893

IUPACbis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
SMILESO=[P+](CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H23O5P2/c23-28(25-16-20-10-4-1-5-11-20)19-29(24,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15H,16-19H2/q+1
InChIKeyYKCCPALJDPIJPD-UHFFFAOYSA-N
MW429.37 g/mol
LogP6.53
Rot. Bonds11

About bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium

bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium (PubChem CID 155609893) has the molecular formula C22H23O5P2+ and a molecular weight of 429.37 g/mol. Its IUPAC name is bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium.

Molecular Properties

Compound Namebis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
PubChem CID155609893
Molecular FormulaC22H23O5P2+
Molecular Weight429.37 g/mol
Exact Mass429.10
IUPAC Namebis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
SMILESO=[P+](CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H23O5P2/c23-28(25-16-20-10-4-1-5-11-20)19-29(24,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15H,16-19H2/q+1
InChIKeyYKCCPALJDPIJPD-UHFFFAOYSA-N
XLogP6.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl phosphate
CID 74189
Tribenzyl phosphate
CID 74359
[hydroxy(1,1':3',1''-Terphenyl-3-Yl)methanediyl]bis(Phosphonic Acid)
CID 16086450
Tribenzyl borate
CID 17179
Tetrabenzyl orthosilicate
CID 78139
Dicyclohexyl (hydroxy(phenyl)methyl)phosphonate
CID 3493139
(Diphenylphosphoryl)(phenyl)methanol
CID 608529
Benzyl diphenylphosphinate
CID 298803
Benzenemethanol, alpha,alpha'-((phenylmethyl)phosphinylidene)bis-
CID 98540
Tetrabenzyl pyrophosphate
CID 563183
Dibenzyl phosphite
CID 6334615
1-Ethoxy-3-phenyl-4-(2-phenylethynyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 12988806

Frequently Asked Questions

What is the IUPAC name of bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium?
The IUPAC name of bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium (CID 155609893) is bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium.
What is the SMILES notation for bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium?
The canonical SMILES for bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium is O=[P+](CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium?
The InChIKey is YKCCPALJDPIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O5P2/c23-28(25-16-20-10-4-1-5-11-20)19-29(24,26-17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15H,16-19H2/q+1.
What are the key properties of bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium?
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium has a molecular weight of 429.37 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 155609893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).