Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)

C9H11BrMgO — CID 12914311

IUPACmagnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide
SMILESCC1=C(C(=C[C-]=C1)C)OC.[Mg+2].[Br-]
InChIInChI=1S/C9H11O.BrH.Mg/c1-7-5-4-6-8(2)9(7)10-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyXSPAONKQJCLPAB-UHFFFAOYSA-M
MW239.39 g/mol
LogP—
Rot. Bonds1

About Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1) (PubChem CID 12914311) has the molecular formula C9H11BrMgO and a molecular weight of 239.39 g/mol. Its IUPAC name is magnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide.

Molecular Properties

Compound NameMagnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
PubChem CID12914311
Molecular FormulaC9H11BrMgO
Molecular Weight239.39 g/mol
Exact Mass237.98
IUPAC Namemagnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide
SMILESCC1=C(C(=C[C-]=C1)C)OC.[Mg+2].[Br-]
InChIInChI=1S/C9H11O.BrH.Mg/c1-7-5-4-6-8(2)9(7)10-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyXSPAONKQJCLPAB-UHFFFAOYSA-M
XLogP—
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-isopropenyl-2H-pyran
CID 636526
2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
2,5-Dimethoxy-3,4,6-trimethylphenylmagnesium bromide
CID 10924068
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Magnesium;1,4-dimethoxy-2-methylbenzene-5-ide;bromide
CID 13401204
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
5-Methyl-oxine
CID 18410493
Dimethylpyran
CID 20253317
2,4-Dimethyl-6-methylidenepyran
CID 20660053
2-(6-Methylhepta-2,5-dien-2-yl)oxirene
CID 54175100

Frequently Asked Questions

What is the IUPAC name of Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)?
The IUPAC name of Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1) (CID 12914311) is magnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide.
What is the SMILES notation for Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)?
The canonical SMILES for Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1) is CC1=C(C(=C[C-]=C1)C)OC.[Mg+2].[Br-].
What is the InChIKey of Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)?
The InChIKey is XSPAONKQJCLPAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O.BrH.Mg/c1-7-5-4-6-8(2)9(7)10-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)?
Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1) has a molecular weight of 239.39 g/mol, XLogP of not available, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1) is sourced from PubChem (CID 12914311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).