[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene

C26H24O6P2 — CID 14550387

IUPAC[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
SMILESO=P(CCP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H24O6P2/c27-33(29-23-13-5-1-6-14-23,30-24-15-7-2-8-16-24)21-22-34(28,31-25-17-9-3-10-18-25)32-26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyIINIIKFCWCLTJD-UHFFFAOYSA-N
MW494.42 g/mol
LogP7.69
Rot. Bonds11

About [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene

[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene (PubChem CID 14550387) has the molecular formula C26H24O6P2 and a molecular weight of 494.42 g/mol. Its IUPAC name is [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
PubChem CID14550387
Molecular FormulaC26H24O6P2
Molecular Weight494.42 g/mol
Exact Mass494.10
IUPAC Name[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
SMILESO=P(CCP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H24O6P2/c27-33(29-23-13-5-1-6-14-23,30-24-15-7-2-8-16-24)21-22-34(28,31-25-17-9-3-10-18-25)32-26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyIINIIKFCWCLTJD-UHFFFAOYSA-N
XLogP7.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
2-amino-4-diphenoxyphosphorylbutanoic acid
CID 23582839
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
N-(5-diphenoxyphosphorylpentyl)benzamide
CID 71323655
[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone
CID 87136573

Frequently Asked Questions

What is the IUPAC name of [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The IUPAC name of [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene (CID 14550387) is [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The canonical SMILES for [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene is O=P(CCP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The InChIKey is IINIIKFCWCLTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6P2/c27-33(29-23-13-5-1-6-14-23,30-24-15-7-2-8-16-24)21-22-34(28,31-25-17-9-3-10-18-25)32-26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene has a molecular weight of 494.42 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 14550387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).