dimagnesium;diphenylmethanediolate;dichloride

C13H10Cl2Mg2O2 — CID 162464569

IUPACdimagnesium;diphenylmethanediolate;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[Mg+2].[O-]C([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O2.2ClH.2Mg/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H;2*1H;;/q-2;;;2*+2/p-2
InChIKeyFIRATKHREVPFOS-UHFFFAOYSA-L
MW317.74 g/mol
LogP-6.15
Rot. Bonds2

About dimagnesium;diphenylmethanediolate;dichloride

dimagnesium;diphenylmethanediolate;dichloride (PubChem CID 162464569) has the molecular formula C13H10Cl2Mg2O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is dimagnesium;diphenylmethanediolate;dichloride.

Molecular Properties

Compound Namedimagnesium;diphenylmethanediolate;dichloride
PubChem CID162464569
Molecular FormulaC13H10Cl2Mg2O2
Molecular Weight317.74 g/mol
Exact Mass315.98
IUPAC Namedimagnesium;diphenylmethanediolate;dichloride
SMILES[Cl-].[Cl-].[Mg+2].[Mg+2].[O-]C([O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O2.2ClH.2Mg/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H;2*1H;;/q-2;;;2*+2/p-2
InChIKeyFIRATKHREVPFOS-UHFFFAOYSA-L
XLogP-6.15
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 5-6.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2,2,2-triphenylethylsulfanium bromide
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CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
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CID 23002363

Frequently Asked Questions

What is the IUPAC name of dimagnesium;diphenylmethanediolate;dichloride?
The IUPAC name of dimagnesium;diphenylmethanediolate;dichloride (CID 162464569) is dimagnesium;diphenylmethanediolate;dichloride.
What is the SMILES notation for dimagnesium;diphenylmethanediolate;dichloride?
The canonical SMILES for dimagnesium;diphenylmethanediolate;dichloride is [Cl-].[Cl-].[Mg+2].[Mg+2].[O-]C([O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of dimagnesium;diphenylmethanediolate;dichloride?
The InChIKey is FIRATKHREVPFOS-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10O2.2ClH.2Mg/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;/h1-10H;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;diphenylmethanediolate;dichloride?
dimagnesium;diphenylmethanediolate;dichloride has a molecular weight of 317.74 g/mol, XLogP of -6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;diphenylmethanediolate;dichloride is sourced from PubChem (CID 162464569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).