magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide

C11H15BrMgO2 — CID 87515241

IUPACmagnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide
SMILESCOCCCc1c[c-]ccc1OC.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-12-9-5-7-10-6-3-4-8-11(10)13-2;;/h4,6,8H,5,7,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNMXOFLQGVHDTAQ-UHFFFAOYSA-M
MW283.45 g/mol
LogP-1.30
Rot. Bonds5

About magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide

magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide (PubChem CID 87515241) has the molecular formula C11H15BrMgO2 and a molecular weight of 283.45 g/mol. Its IUPAC name is magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide
PubChem CID87515241
Molecular FormulaC11H15BrMgO2
Molecular Weight283.45 g/mol
Exact Mass282.01
IUPAC Namemagnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide
SMILESCOCCCc1c[c-]ccc1OC.[Br-].[Mg+2]
InChIInChI=1S/C11H15O2.BrH.Mg/c1-12-9-5-7-10-6-3-4-8-11(10)13-2;;/h4,6,8H,5,7,9H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNMXOFLQGVHDTAQ-UHFFFAOYSA-M
XLogP-1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide?
The IUPAC name of magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide (CID 87515241) is magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide.
What is the SMILES notation for magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide?
The canonical SMILES for magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide is COCCCc1c[c-]ccc1OC.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide?
The InChIKey is NMXOFLQGVHDTAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O2.BrH.Mg/c1-12-9-5-7-10-6-3-4-8-11(10)13-2;;/h4,6,8H,5,7,9H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide?
magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide has a molecular weight of 283.45 g/mol, XLogP of -1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxy-2-(3-methoxypropyl)benzene-4-ide;bromide is sourced from PubChem (CID 87515241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).