diphenoxyphosphanyloxymethyl diphenyl phosphite

C25H22O6P2 — CID 171611986

IUPACdiphenoxyphosphanyloxymethyl diphenyl phosphite
SMILESc1ccc(OP(OCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C25H22O6P2/c1-5-13-22(14-6-1)28-32(29-23-15-7-2-8-16-23)26-21-27-33(30-24-17-9-3-10-18-24)31-25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyPHMVPJCQGDHJGR-UHFFFAOYSA-N
MW480.39 g/mol
LogP7.75
Rot. Bonds12

About diphenoxyphosphanyloxymethyl diphenyl phosphite

diphenoxyphosphanyloxymethyl diphenyl phosphite (PubChem CID 171611986) has the molecular formula C25H22O6P2 and a molecular weight of 480.39 g/mol. Its IUPAC name is diphenoxyphosphanyloxymethyl diphenyl phosphite.

Molecular Properties

Compound Namediphenoxyphosphanyloxymethyl diphenyl phosphite
PubChem CID171611986
Molecular FormulaC25H22O6P2
Molecular Weight480.39 g/mol
Exact Mass480.09
IUPAC Namediphenoxyphosphanyloxymethyl diphenyl phosphite
SMILESc1ccc(OP(OCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C25H22O6P2/c1-5-13-22(14-6-1)28-32(29-23-15-7-2-8-16-23)26-21-27-33(30-24-17-9-3-10-18-24)31-25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyPHMVPJCQGDHJGR-UHFFFAOYSA-N
XLogP7.75
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
triphenyl phosphite sulfite
CID 22067374
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);bromide
CID 173453911
ethane;methyl diphenyl phosphite
CID 161074644
chloromethylbenzene;triphenyl phosphite
CID 158515222
benzyl methyl phenyl phosphite
CID 19107157
bis(4-formylphenyl) phenyl phosphite
CID 146390093
diethoxy phenyl phosphite
CID 150732863
diphenyl 11-undecoxyundecyl phosphite
CID 101311931

Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphanyloxymethyl diphenyl phosphite?
The IUPAC name of diphenoxyphosphanyloxymethyl diphenyl phosphite (CID 171611986) is diphenoxyphosphanyloxymethyl diphenyl phosphite.
What is the SMILES notation for diphenoxyphosphanyloxymethyl diphenyl phosphite?
The canonical SMILES for diphenoxyphosphanyloxymethyl diphenyl phosphite is c1ccc(OP(OCOP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of diphenoxyphosphanyloxymethyl diphenyl phosphite?
The InChIKey is PHMVPJCQGDHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O6P2/c1-5-13-22(14-6-1)28-32(29-23-15-7-2-8-16-23)26-21-27-33(30-24-17-9-3-10-18-24)31-25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of diphenoxyphosphanyloxymethyl diphenyl phosphite?
diphenoxyphosphanyloxymethyl diphenyl phosphite has a molecular weight of 480.39 g/mol, XLogP of 7.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphanyloxymethyl diphenyl phosphite is sourced from PubChem (CID 171611986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).