magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide

C11H15BrMgO4 — CID 12906344

IUPACmagnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)c(OC)c(OC)c1OC.[Br-].[Mg+2]
InChIInChI=1S/C11H15O4.BrH.Mg/c1-7-6-8(12-2)10(14-4)11(15-5)9(7)13-3;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyRPTIXSWNHFCPFV-UHFFFAOYSA-M
MW315.45 g/mol
LogP-1.55
Rot. Bonds4

About magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide

magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide (PubChem CID 12906344) has the molecular formula C11H15BrMgO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide
PubChem CID12906344
Molecular FormulaC11H15BrMgO4
Molecular Weight315.45 g/mol
Exact Mass314.00
IUPAC Namemagnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide
SMILESCOc1[c-]c(C)c(OC)c(OC)c1OC.[Br-].[Mg+2]
InChIInChI=1S/C11H15O4.BrH.Mg/c1-7-6-8(12-2)10(14-4)11(15-5)9(7)13-3;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyRPTIXSWNHFCPFV-UHFFFAOYSA-M
XLogP-1.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide (CID 12906344) is magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide is COc1[c-]c(C)c(OC)c(OC)c1OC.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide?
The InChIKey is RPTIXSWNHFCPFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O4.BrH.Mg/c1-7-6-8(12-2)10(14-4)11(15-5)9(7)13-3;;/h1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide?
magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide has a molecular weight of 315.45 g/mol, XLogP of -1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,3,4-tetramethoxy-5-methylbenzene-6-ide;bromide is sourced from PubChem (CID 12906344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).