magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide

C9H11BrMgO2 — CID 10967081

IUPACmagnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)cc(OC)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyKHTPPLYTHSBBAQ-UHFFFAOYSA-M
MW255.39 g/mol
LogP-1.56
Rot. Bonds2

About magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide

magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide (PubChem CID 10967081) has the molecular formula C9H11BrMgO2 and a molecular weight of 255.39 g/mol. Its IUPAC name is magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide
PubChem CID10967081
Molecular FormulaC9H11BrMgO2
Molecular Weight255.39 g/mol
Exact Mass253.98
IUPAC Namemagnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)cc(OC)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H11O2.BrH.Mg/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyKHTPPLYTHSBBAQ-UHFFFAOYSA-M
XLogP-1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide with MolForge

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

Launch Full Analysis

Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
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
Magnesium bromide 3,5-dimethoxybenzen-1-ide (1/1/1)
CID 15362998
2,4-Dimethyl-6-methylidenepyran
CID 20660053
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
Magnesium;2-methoxy-1,3-dimethylbenzene-5-ide;bromide
CID 17748543
Lithium 2-methoxy-3-methylbenzen-1-ide
CID 57533097

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide (CID 10967081) is magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide is COc1[c-]c(C)cc(OC)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide?
The InChIKey is KHTPPLYTHSBBAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2.BrH.Mg/c1-7-4-8(10-2)6-9(5-7)11-3;;/h4,6H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide?
magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide has a molecular weight of 255.39 g/mol, XLogP of -1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-dimethoxy-5-methylbenzene-6-ide;bromide is sourced from PubChem (CID 10967081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).