diphenoxyphosphorylmethylidene(diphosphanyl)phosphane

C13H14O3P4 — CID 90711978

IUPACdiphenoxyphosphorylmethylidene(diphosphanyl)phosphane
SMILESO=P(/C=P/PP)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H14O3P4/c14-20(11-18-19-17,15-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11,19H,17H2
InChIKeyRIMPENDQBVKRCC-UHFFFAOYSA-N
MW342.15 g/mol
LogP5.43
Rot. Bonds6

About diphenoxyphosphorylmethylidene(diphosphanyl)phosphane

diphenoxyphosphorylmethylidene(diphosphanyl)phosphane (PubChem CID 90711978) has the molecular formula C13H14O3P4 and a molecular weight of 342.15 g/mol. Its IUPAC name is diphenoxyphosphorylmethylidene(diphosphanyl)phosphane.

Molecular Properties

Compound Namediphenoxyphosphorylmethylidene(diphosphanyl)phosphane
PubChem CID90711978
Molecular FormulaC13H14O3P4
Molecular Weight342.15 g/mol
Exact Mass341.99
IUPAC Namediphenoxyphosphorylmethylidene(diphosphanyl)phosphane
SMILESO=P(/C=P/PP)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H14O3P4/c14-20(11-18-19-17,15-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11,19H,17H2
InChIKeyRIMPENDQBVKRCC-UHFFFAOYSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.15
LogP ≤ 55.43
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

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tetrasodium phenyl phosphate
CID 172856118
disodium;phenyl phosphate
CID 2724225
(2-diphenoxyphosphoryl-1-phenylethenyl)benzene;pyridin-1-ium;bromide
CID 175410669
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
potassium diphenyl phosphate
CID 23671717
diphenyl hydrogen phosphate;silane
CID 175425543

Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphorylmethylidene(diphosphanyl)phosphane?
The IUPAC name of diphenoxyphosphorylmethylidene(diphosphanyl)phosphane (CID 90711978) is diphenoxyphosphorylmethylidene(diphosphanyl)phosphane.
What is the SMILES notation for diphenoxyphosphorylmethylidene(diphosphanyl)phosphane?
The canonical SMILES for diphenoxyphosphorylmethylidene(diphosphanyl)phosphane is O=P(/C=P/PP)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyphosphorylmethylidene(diphosphanyl)phosphane?
The InChIKey is RIMPENDQBVKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3P4/c14-20(11-18-19-17,15-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11,19H,17H2.
What are the key properties of diphenoxyphosphorylmethylidene(diphosphanyl)phosphane?
diphenoxyphosphorylmethylidene(diphosphanyl)phosphane has a molecular weight of 342.15 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphorylmethylidene(diphosphanyl)phosphane is sourced from PubChem (CID 90711978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).