dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate

C8H11NO8P2 — CID 173165944

IUPACdihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate
SMILESO=[N+]([O-])c1ccc(CCP(=O)([O-])O)cc1.O=[P+](O)O
InChIInChI=1S/C8H10NO5P.HO3P/c10-9(11)8-3-1-7(2-4-8)5-6-15(12,13)14;1-4(2)3/h1-4H,5-6H2,(H2,12,13,14);(H-,1,2,3)
InChIKeyODVYUNPFXAZPOZ-UHFFFAOYSA-N
MW311.12 g/mol
LogP0.31
Rot. Bonds4

About dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate

dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate (PubChem CID 173165944) has the molecular formula C8H11NO8P2 and a molecular weight of 311.12 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate
PubChem CID173165944
Molecular FormulaC8H11NO8P2
Molecular Weight311.12 g/mol
Exact Mass311.00
IUPAC Namedihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate
SMILESO=[N+]([O-])c1ccc(CCP(=O)([O-])O)cc1.O=[P+](O)O
InChIInChI=1S/C8H10NO5P.HO3P/c10-9(11)8-3-1-7(2-4-8)5-6-15(12,13)14;1-4(2)3/h1-4H,5-6H2,(H2,12,13,14);(H-,1,2,3)
InChIKeyODVYUNPFXAZPOZ-UHFFFAOYSA-N
XLogP0.31
TPSA161.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[(4-nitrophenyl)methyl]phosphinate
CID 39843016
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
3-(4-nitrophenyl)propanoate
CID 6923582
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
bis[(4-nitrophenyl)methyl]-oxophosphanium
CID 22169102
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
CID 57011547
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
ethane;1-nitro-4-propylbenzene
CID 123575523
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-ethyl-4-nitrobenzene;tungsten
CID 58858101
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate?
The IUPAC name of dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate (CID 173165944) is dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate.
What is the SMILES notation for dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate?
The canonical SMILES for dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate is O=[N+]([O-])c1ccc(CCP(=O)([O-])O)cc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate?
The InChIKey is ODVYUNPFXAZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO5P.HO3P/c10-9(11)8-3-1-7(2-4-8)5-6-15(12,13)14;1-4(2)3/h1-4H,5-6H2,(H2,12,13,14);(H-,1,2,3).
What are the key properties of dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate?
dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate has a molecular weight of 311.12 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate is sourced from PubChem (CID 173165944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).