copper bis((4-ethylphenyl)-oxido-oxophosphanium)

C16H18CuO4P2+2 — CID 87854318

IUPACcopper bis((4-ethylphenyl)-oxido-oxophosphanium)
SMILESCCc1ccc([P+](=O)[O-])cc1.CCc1ccc([P+](=O)[O-])cc1.[Cu+2]
InChIInChI=1S/2C8H9O2P.Cu/c2*1-2-7-3-5-8(6-4-7)11(9)10;/h2*3-6H,2H2,1H3;/q;;+2
InChIKeyYFLKREIATCOOJL-UHFFFAOYSA-N
MW399.81 g/mol
LogP1.95
Rot. Bonds4

About copper bis((4-ethylphenyl)-oxido-oxophosphanium)

copper bis((4-ethylphenyl)-oxido-oxophosphanium) (PubChem CID 87854318) has the molecular formula C16H18CuO4P2+2 and a molecular weight of 399.81 g/mol. Its IUPAC name is copper bis((4-ethylphenyl)-oxido-oxophosphanium).

Molecular Properties

Compound Namecopper bis((4-ethylphenyl)-oxido-oxophosphanium)
PubChem CID87854318
Molecular FormulaC16H18CuO4P2+2
Molecular Weight399.81 g/mol
Exact Mass399.00
IUPAC Namecopper bis((4-ethylphenyl)-oxido-oxophosphanium)
SMILESCCc1ccc([P+](=O)[O-])cc1.CCc1ccc([P+](=O)[O-])cc1.[Cu+2]
InChIInChI=1S/2C8H9O2P.Cu/c2*1-2-7-3-5-8(6-4-7)11(9)10;/h2*3-6H,2H2,1H3;/q;;+2
InChIKeyYFLKREIATCOOJL-UHFFFAOYSA-N
XLogP1.95
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze copper bis((4-ethylphenyl)-oxido-oxophosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper bis((4-ethylphenyl)-oxido-oxophosphanium)?
The IUPAC name of copper bis((4-ethylphenyl)-oxido-oxophosphanium) (CID 87854318) is copper bis((4-ethylphenyl)-oxido-oxophosphanium).
What is the SMILES notation for copper bis((4-ethylphenyl)-oxido-oxophosphanium)?
The canonical SMILES for copper bis((4-ethylphenyl)-oxido-oxophosphanium) is CCc1ccc([P+](=O)[O-])cc1.CCc1ccc([P+](=O)[O-])cc1.[Cu+2].
What is the InChIKey of copper bis((4-ethylphenyl)-oxido-oxophosphanium)?
The InChIKey is YFLKREIATCOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9O2P.Cu/c2*1-2-7-3-5-8(6-4-7)11(9)10;/h2*3-6H,2H2,1H3;/q;;+2.
What are the key properties of copper bis((4-ethylphenyl)-oxido-oxophosphanium)?
copper bis((4-ethylphenyl)-oxido-oxophosphanium) has a molecular weight of 399.81 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((4-ethylphenyl)-oxido-oxophosphanium) is sourced from PubChem (CID 87854318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).