1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)

C8H14O4P2+2 — CID 175694228

IUPAC1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)
SMILESC[P+](=O)O.C[P+](=O)O.[2H]c1ccc([2H])cc1
InChIInChI=1S/C6H6.2CH3O2P/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*1H3/p+2/i1D,6D;;
InChIKeyCUPBRXBTRFKOAF-IQMZZIDLSA-P
MW238.16 g/mol
LogP2.39
Rot. Bonds

About 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)

1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium) (PubChem CID 175694228) has the molecular formula C8H14O4P2+2 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium).

Molecular Properties

Compound Name1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)
PubChem CID175694228
Molecular FormulaC8H14O4P2+2
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)
SMILESC[P+](=O)O.C[P+](=O)O.[2H]c1ccc([2H])cc1
InChIInChI=1S/C6H6.2CH3O2P/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*1H3/p+2/i1D,6D;;
InChIKeyCUPBRXBTRFKOAF-IQMZZIDLSA-P
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(hydroxy-methyl-oxophosphanium);zinc
CID 174903400
bis(hydroxy-methyl-oxophosphanium);methane
CID 22015086
hydroxy-methyl-oxophosphanium;nitroxyl
CID 90711429
dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
CID 163366410
CID 163366410
dihydroxy(oxo)phosphanium;methane;dihydrochloride
CID 173320523
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
1,1-diphenylethyl-hydroxy-oxophosphanium
CID 174317927
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291

Frequently Asked Questions

What is the IUPAC name of 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)?
The IUPAC name of 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium) (CID 175694228) is 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium).
What is the SMILES notation for 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)?
The canonical SMILES for 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium) is C[P+](=O)O.C[P+](=O)O.[2H]c1ccc([2H])cc1.
What is the InChIKey of 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)?
The InChIKey is CUPBRXBTRFKOAF-IQMZZIDLSA-P. The full InChI is InChI=1S/C6H6.2CH3O2P/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H;2*1H3/p+2/i1D,6D;;.
What are the key properties of 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)?
1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium) has a molecular weight of 238.16 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium) is sourced from PubChem (CID 175694228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).