magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide

C10H13BrMgO3 — CID 11129861

IUPACmagnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide
SMILESCOCOc1c[c-]cc(C)c1OC.[Br-].[Mg+2]
InChIInChI=1S/C10H13O3.BrH.Mg/c1-8-5-4-6-9(10(8)12-3)13-7-11-2;;/h5-6H,7H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyHGMLAPNZZXECLU-UHFFFAOYSA-M
MW285.42 g/mol
LogP-1.59
Rot. Bonds4

About magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide

magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide (PubChem CID 11129861) has the molecular formula C10H13BrMgO3 and a molecular weight of 285.42 g/mol. Its IUPAC name is magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide
PubChem CID11129861
Molecular FormulaC10H13BrMgO3
Molecular Weight285.42 g/mol
Exact Mass283.99
IUPAC Namemagnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide
SMILESCOCOc1c[c-]cc(C)c1OC.[Br-].[Mg+2]
InChIInChI=1S/C10H13O3.BrH.Mg/c1-8-5-4-6-9(10(8)12-3)13-7-11-2;;/h5-6H,7H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyHGMLAPNZZXECLU-UHFFFAOYSA-M
XLogP-1.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide?
The IUPAC name of magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide (CID 11129861) is magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide.
What is the SMILES notation for magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide?
The canonical SMILES for magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide is COCOc1c[c-]cc(C)c1OC.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide?
The InChIKey is HGMLAPNZZXECLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O3.BrH.Mg/c1-8-5-4-6-9(10(8)12-3)13-7-11-2;;/h5-6H,7H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide?
magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide has a molecular weight of 285.42 g/mol, XLogP of -1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methoxy-1-(methoxymethoxy)-3-methylbenzene-5-ide;bromide is sourced from PubChem (CID 11129861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).