magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide

C11H13BrMgO3 — CID 24722698

IUPACmagnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide
SMILESCOc1cc[c-]cc1C1OCCCO1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O3.BrH.Mg/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11;;/h3,5-6,11H,4,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVEADFAVHRFNXPQ-UHFFFAOYSA-M
MW297.43 g/mol
LogP-1.45
Rot. Bonds2

About magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide

magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide (PubChem CID 24722698) has the molecular formula C11H13BrMgO3 and a molecular weight of 297.43 g/mol. Its IUPAC name is magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide.

Molecular Properties

Compound Namemagnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide
PubChem CID24722698
Molecular FormulaC11H13BrMgO3
Molecular Weight297.43 g/mol
Exact Mass295.99
IUPAC Namemagnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide
SMILESCOc1cc[c-]cc1C1OCCCO1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O3.BrH.Mg/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11;;/h3,5-6,11H,4,7-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVEADFAVHRFNXPQ-UHFFFAOYSA-M
XLogP-1.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 5-1.45
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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide?
The IUPAC name of magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide (CID 24722698) is magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide.
What is the SMILES notation for magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide?
The canonical SMILES for magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide is COc1cc[c-]cc1C1OCCCO1.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide?
The InChIKey is VEADFAVHRFNXPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O3.BrH.Mg/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11;;/h3,5-6,11H,4,7-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide?
magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide has a molecular weight of 297.43 g/mol, XLogP of -1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-methoxybenzene-5-id-1-yl)-1,3-dioxane;bromide is sourced from PubChem (CID 24722698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).