oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium

C18H14O7P2+2 — CID 20686410

IUPACoxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
SMILESO=[P+](OOc1cccc(O[P+](=O)Oc2ccccc2)c1)Oc1ccccc1
InChIInChI=1S/C18H14O7P2/c19-26(22-15-8-3-1-4-9-15)24-18-13-7-12-17(14-18)21-25-27(20)23-16-10-5-2-6-11-16/h1-14H/q+2
InChIKeyXBEKHLWAIUDNPG-UHFFFAOYSA-N
MW404.25 g/mol
LogP5.85
Rot. Bonds9

About oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium

oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium (PubChem CID 20686410) has the molecular formula C18H14O7P2+2 and a molecular weight of 404.25 g/mol. Its IUPAC name is oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium.

Molecular Properties

Compound Nameoxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
PubChem CID20686410
Molecular FormulaC18H14O7P2+2
Molecular Weight404.25 g/mol
Exact Mass404.02
IUPAC Nameoxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
SMILESO=[P+](OOc1cccc(O[P+](=O)Oc2ccccc2)c1)Oc1ccccc1
InChIInChI=1S/C18H14O7P2/c19-26(22-15-8-3-1-4-9-15)24-18-13-7-12-17(14-18)21-25-27(20)23-16-10-5-2-6-11-16/h1-14H/q+2
InChIKeyXBEKHLWAIUDNPG-UHFFFAOYSA-N
XLogP5.85
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

copper;oxo(diphenoxy)phosphanium
CID 158842365
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
CID 20712633
[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
diphenyl hydrogen phosphite;oxo(diphenoxy)phosphanium
CID 87382332
ethenoxy-oxo-phenoxyphosphanium
CID 57202191
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469
oxo-phenoxy-phosphanylphosphanium
CID 154139481
oxo-phenoxy-sulfinooxyphosphanium
CID 69029369
oxo-phenoxy-phosphonooxyphosphanium;zirconium
CID 90015245
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703

Frequently Asked Questions

What is the IUPAC name of oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium?
The IUPAC name of oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium (CID 20686410) is oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium.
What is the SMILES notation for oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium?
The canonical SMILES for oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium is O=[P+](OOc1cccc(O[P+](=O)Oc2ccccc2)c1)Oc1ccccc1.
What is the InChIKey of oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium?
The InChIKey is XBEKHLWAIUDNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7P2/c19-26(22-15-8-3-1-4-9-15)24-18-13-7-12-17(14-18)21-25-27(20)23-16-10-5-2-6-11-16/h1-14H/q+2.
What are the key properties of oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium?
oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium has a molecular weight of 404.25 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium is sourced from PubChem (CID 20686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).