benzene;bis(hydroxy-methyl-oxophosphanium);zinc

C8H14O4P2Zn+2 — CID 174903400

IUPACbenzene;bis(hydroxy-methyl-oxophosphanium);zinc
SMILESC[P+](=O)O.C[P+](=O)O.[Zn].c1ccccc1
InChIInChI=1S/C6H6.2CH3O2P.Zn/c1-2-4-6-5-3-1;2*1-4(2)3;/h1-6H;2*1H3;/p+2
InChIKeyKXSCQJHEQQIIGR-UHFFFAOYSA-P
MW301.53 g/mol
LogP2.39
Rot. Bonds

About benzene;bis(hydroxy-methyl-oxophosphanium);zinc

benzene;bis(hydroxy-methyl-oxophosphanium);zinc (PubChem CID 174903400) has the molecular formula C8H14O4P2Zn+2 and a molecular weight of 301.53 g/mol. Its IUPAC name is benzene;bis(hydroxy-methyl-oxophosphanium);zinc.

Molecular Properties

Compound Namebenzene;bis(hydroxy-methyl-oxophosphanium);zinc
PubChem CID174903400
Molecular FormulaC8H14O4P2Zn+2
Molecular Weight301.53 g/mol
Exact Mass299.96
IUPAC Namebenzene;bis(hydroxy-methyl-oxophosphanium);zinc
SMILESC[P+](=O)O.C[P+](=O)O.[Zn].c1ccccc1
InChIInChI=1S/C6H6.2CH3O2P.Zn/c1-2-4-6-5-3-1;2*1-4(2)3;/h1-6H;2*1H3;/p+2
InChIKeyKXSCQJHEQQIIGR-UHFFFAOYSA-P
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(hydroxy-methyl-oxophosphanium);methane
CID 22015086
1,4-dideuteriobenzene;bis(hydroxy-methyl-oxophosphanium)
CID 175694228
hydroxy-methyl-oxophosphanium;nitroxyl
CID 90711429
1,1'-biphenyl;methoxy-methyl-oxophosphanium
CID 91013313
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium
CID 18403077
dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
benzene;methanol;hydrochloride
CID 70212291
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
1,1-diphenylethyl-hydroxy-oxophosphanium
CID 174317927
methyl-oxo-phenylmethoxyphosphanium
CID 20566646

Frequently Asked Questions

What is the IUPAC name of benzene;bis(hydroxy-methyl-oxophosphanium);zinc?
The IUPAC name of benzene;bis(hydroxy-methyl-oxophosphanium);zinc (CID 174903400) is benzene;bis(hydroxy-methyl-oxophosphanium);zinc.
What is the SMILES notation for benzene;bis(hydroxy-methyl-oxophosphanium);zinc?
The canonical SMILES for benzene;bis(hydroxy-methyl-oxophosphanium);zinc is C[P+](=O)O.C[P+](=O)O.[Zn].c1ccccc1.
What is the InChIKey of benzene;bis(hydroxy-methyl-oxophosphanium);zinc?
The InChIKey is KXSCQJHEQQIIGR-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H6.2CH3O2P.Zn/c1-2-4-6-5-3-1;2*1-4(2)3;/h1-6H;2*1H3;/p+2.
What are the key properties of benzene;bis(hydroxy-methyl-oxophosphanium);zinc?
benzene;bis(hydroxy-methyl-oxophosphanium);zinc has a molecular weight of 301.53 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 benzene;bis(hydroxy-methyl-oxophosphanium);zinc is sourced from PubChem (CID 174903400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).