biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

C12H10O5P2+2 — CID 160779870

IUPACbiphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESO=[P+](O)O[P+](=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.O5P2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-6(2)5-7(3)4/h1-8H;/p+2
InChIKeyIQNYOAMTUNKNAB-UHFFFAOYSA-P
MW296.15 g/mol
LogP3.64
Rot. Bonds2

About biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (PubChem CID 160779870) has the molecular formula C12H10O5P2+2 and a molecular weight of 296.15 g/mol. Its IUPAC name is biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.

Molecular Properties

Compound Namebiphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
PubChem CID160779870
Molecular FormulaC12H10O5P2+2
Molecular Weight296.15 g/mol
Exact Mass296.00
IUPAC Namebiphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESO=[P+](O)O[P+](=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.O5P2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-6(2)5-7(3)4/h1-8H;/p+2
InChIKeyIQNYOAMTUNKNAB-UHFFFAOYSA-P
XLogP3.64
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The IUPAC name of biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (CID 160779870) is biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.
What is the SMILES notation for biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The canonical SMILES for biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is O=[P+](O)O[P+](=O)O.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The InChIKey is IQNYOAMTUNKNAB-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H8.O5P2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-6(2)5-7(3)4/h1-8H;/p+2.
What are the key properties of biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium has a molecular weight of 296.15 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 160779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).