copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride

C24H18ClCuO6P2 — CID 173453558

IUPACcopper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride
SMILES[Cl-].[Cu+].c1ccc(OP2Oc3ccccc3O2)cc1.c1ccc(OP2Oc3ccccc3O2)cc1
InChIInChI=1S/2C12H9O3P.ClH.Cu/c2*1-2-6-10(7-3-1)13-16-14-11-8-4-5-9-12(11)15-16;;/h2*1-9H;1H;/q;;;+1/p-1
InChIKeyLDBBFWMPNSTOIE-UHFFFAOYSA-M
MW563.35 g/mol
LogP4.53
Rot. Bonds4

About copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride

copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride (PubChem CID 173453558) has the molecular formula C24H18ClCuO6P2 and a molecular weight of 563.35 g/mol. Its IUPAC name is copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride.

Molecular Properties

Compound Namecopper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride
PubChem CID173453558
Molecular FormulaC24H18ClCuO6P2
Molecular Weight563.35 g/mol
Exact Mass561.96
IUPAC Namecopper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride
SMILES[Cl-].[Cu+].c1ccc(OP2Oc3ccccc3O2)cc1.c1ccc(OP2Oc3ccccc3O2)cc1
InChIInChI=1S/2C12H9O3P.ClH.Cu/c2*1-2-6-10(7-3-1)13-16-14-11-8-4-5-9-12(11)15-16;;/h2*1-9H;1H;/q;;;+1/p-1
InChIKeyLDBBFWMPNSTOIE-UHFFFAOYSA-M
XLogP4.53
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride?
The IUPAC name of copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride (CID 173453558) is copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride.
What is the SMILES notation for copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride?
The canonical SMILES for copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride is [Cl-].[Cu+].c1ccc(OP2Oc3ccccc3O2)cc1.c1ccc(OP2Oc3ccccc3O2)cc1.
What is the InChIKey of copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride?
The InChIKey is LDBBFWMPNSTOIE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H9O3P.ClH.Cu/c2*1-2-6-10(7-3-1)13-16-14-11-8-4-5-9-12(11)15-16;;/h2*1-9H;1H;/q;;;+1/p-1.
What are the key properties of copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride?
copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride has a molecular weight of 563.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(2-phenoxy-1,3,2-benzodioxaphosphole);chloride is sourced from PubChem (CID 173453558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).