ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid

C12H20O5P2 — CID 59986294

IUPACethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
SMILESCCOP(=O)(O)CP(=O)(OCC)c1ccc(C)cc1
InChIInChI=1S/C12H20O5P2/c1-4-16-18(13,10-19(14,15)17-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,15)
InChIKeyWDWZURIMGLMXOQ-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.11
Rot. Bonds7

About ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid

ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid (PubChem CID 59986294) has the molecular formula C12H20O5P2 and a molecular weight of 306.24 g/mol. Its IUPAC name is ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
PubChem CID59986294
Molecular FormulaC12H20O5P2
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Nameethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
SMILESCCOP(=O)(O)CP(=O)(OCC)c1ccc(C)cc1
InChIInChI=1S/C12H20O5P2/c1-4-16-18(13,10-19(14,15)17-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,15)
InChIKeyWDWZURIMGLMXOQ-UHFFFAOYSA-N
XLogP3.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
2-ethoxyethyl-(4-methylphenyl)phosphinic acid
CID 118860001
ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
CID 10957350
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[3,5-bis[[ethoxy(hydroxy)phosphoryl]methyl]-2,4,6-trimethylphenyl]methyl-ethoxyphosphinic acid
CID 58708701
diethoxyphosphoryl-(4-methylphenyl)azanium
CID 143511505
2-[[ethoxy(phenyl)phosphoryl]methyl]-1,3,5-trimethylbenzene
CID 23205845
1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
CID 170659353
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
CID 150763213

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid (CID 59986294) is ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid is CCOP(=O)(O)CP(=O)(OCC)c1ccc(C)cc1.
What is the InChIKey of ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid?
The InChIKey is WDWZURIMGLMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5P2/c1-4-16-18(13,10-19(14,15)17-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,15).
What are the key properties of ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid?
ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid has a molecular weight of 306.24 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid is sourced from PubChem (CID 59986294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).