zinc bis((2-methylphenyl)-oxido-oxophosphanium)

C14H14O4P2Zn+2 — CID 87309125

IUPACzinc bis((2-methylphenyl)-oxido-oxophosphanium)
SMILESCc1ccccc1[P+](=O)[O-].Cc1ccccc1[P+](=O)[O-].[Zn+2]
InChIInChI=1S/2C7H7O2P.Zn/c2*1-6-4-2-3-5-7(6)10(8)9;/h2*2-5H,1H3;/q;;+2
InChIKeyJWZHSPUACMCKRU-UHFFFAOYSA-N
MW373.60 g/mol
LogP1.44
Rot. Bonds2

About zinc bis((2-methylphenyl)-oxido-oxophosphanium)

zinc bis((2-methylphenyl)-oxido-oxophosphanium) (PubChem CID 87309125) has the molecular formula C14H14O4P2Zn+2 and a molecular weight of 373.60 g/mol. Its IUPAC name is zinc bis((2-methylphenyl)-oxido-oxophosphanium).

Molecular Properties

Compound Namezinc bis((2-methylphenyl)-oxido-oxophosphanium)
PubChem CID87309125
Molecular FormulaC14H14O4P2Zn+2
Molecular Weight373.60 g/mol
Exact Mass371.96
IUPAC Namezinc bis((2-methylphenyl)-oxido-oxophosphanium)
SMILESCc1ccccc1[P+](=O)[O-].Cc1ccccc1[P+](=O)[O-].[Zn+2]
InChIInChI=1S/2C7H7O2P.Zn/c2*1-6-4-2-3-5-7(6)10(8)9;/h2*2-5H,1H3;/q;;+2
InChIKeyJWZHSPUACMCKRU-UHFFFAOYSA-N
XLogP1.44
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.60
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(2-methylphenyl)-oxophosphanium
CID 15751683
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
methyl-(2-methylphenyl)-sulfanylidenephosphanium
CID 56633604
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
sodium;hydride;1,2-xylene
CID 173009635

Frequently Asked Questions

What is the IUPAC name of zinc bis((2-methylphenyl)-oxido-oxophosphanium)?
The IUPAC name of zinc bis((2-methylphenyl)-oxido-oxophosphanium) (CID 87309125) is zinc bis((2-methylphenyl)-oxido-oxophosphanium).
What is the SMILES notation for zinc bis((2-methylphenyl)-oxido-oxophosphanium)?
The canonical SMILES for zinc bis((2-methylphenyl)-oxido-oxophosphanium) is Cc1ccccc1[P+](=O)[O-].Cc1ccccc1[P+](=O)[O-].[Zn+2].
What is the InChIKey of zinc bis((2-methylphenyl)-oxido-oxophosphanium)?
The InChIKey is JWZHSPUACMCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O2P.Zn/c2*1-6-4-2-3-5-7(6)10(8)9;/h2*2-5H,1H3;/q;;+2.
What are the key properties of zinc bis((2-methylphenyl)-oxido-oxophosphanium)?
zinc bis((2-methylphenyl)-oxido-oxophosphanium) has a molecular weight of 373.60 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((2-methylphenyl)-oxido-oxophosphanium) is sourced from PubChem (CID 87309125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).