magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide

C11H15BrMgO2 — CID 10924068

IUPACmagnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)c(OC)c(C)c1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-7-6-10(12-4)8(2)9(3)11(7)13-5;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyHNDYERLBTXHXKW-UHFFFAOYSA-M
MW283.45 g/mol
LogP-0.95
Rot. Bonds2

About magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide

magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide (PubChem CID 10924068) has the molecular formula C11H15BrMgO2 and a molecular weight of 283.45 g/mol. Its IUPAC name is magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide
PubChem CID10924068
Molecular FormulaC11H15BrMgO2
Molecular Weight283.45 g/mol
Exact Mass282.01
IUPAC Namemagnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)c(OC)c(C)c1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-7-6-10(12-4)8(2)9(3)11(7)13-5;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyHNDYERLBTXHXKW-UHFFFAOYSA-M
XLogP-0.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Magnesium;1,4-dimethoxy-2-methylbenzene-5-ide;bromide
CID 13401204
Magnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide
CID 17748543
2,4-Dimethoxy-6-methylphenylmagnesium bromide
CID 10967081
3,4-Dimethoxy-2-methylphenylmagnesium bromide
CID 129835907
Magnesium;2-methoxy-1,3,5-trimethylbenzene-6-ide;bromide
CID 134892734
Magnesium;1-methoxy-3-methylbenzene-6-ide;bromide
CID 10900302
4-Methoxy-3-methylphenylmagnesium bromide
CID 11020569
2-Methoxy-5-methylphenylmagnesium bromide
CID 11770137
2-Methoxy-6-methylphenyl-magnesium bromide
CID 12192384
Magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide
CID 12906344

Frequently Asked Questions

What is the IUPAC name of magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide (CID 10924068) is magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide is COc1[c-]c(C)c(OC)c(C)c1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide?
The InChIKey is HNDYERLBTXHXKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O2.BrH.Mg/c1-7-6-10(12-4)8(2)9(3)11(7)13-5;;/h1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide?
magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide has a molecular weight of 283.45 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,4-dimethoxy-2,3,5-trimethylbenzene-6-ide;bromide is sourced from PubChem (CID 10924068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).