magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide

C13H11BrMgO — CID 59266395

IUPACmagnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide
SMILESC=Cc1cc2c[c-]ccc2cc1OC.[Br-].[Mg+2]
InChIInChI=1S/C13H11O.BrH.Mg/c1-3-10-8-11-6-4-5-7-12(11)9-13(10)14-2;;/h3,5-9H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyOMSFJZVBWVNFND-UHFFFAOYSA-M
MW287.44 g/mol
LogP-0.09
Rot. Bonds2

About magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide

magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide (PubChem CID 59266395) has the molecular formula C13H11BrMgO and a molecular weight of 287.44 g/mol. Its IUPAC name is magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide
PubChem CID59266395
Molecular FormulaC13H11BrMgO
Molecular Weight287.44 g/mol
Exact Mass285.98
IUPAC Namemagnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide
SMILESC=Cc1cc2c[c-]ccc2cc1OC.[Br-].[Mg+2]
InChIInChI=1S/C13H11O.BrH.Mg/c1-3-10-8-11-6-4-5-7-12(11)9-13(10)14-2;;/h3,5-9H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyOMSFJZVBWVNFND-UHFFFAOYSA-M
XLogP-0.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide?
The IUPAC name of magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide (CID 59266395) is magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide.
What is the SMILES notation for magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide?
The canonical SMILES for magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide is C=Cc1cc2c[c-]ccc2cc1OC.[Br-].[Mg+2].
What is the InChIKey of magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide?
The InChIKey is OMSFJZVBWVNFND-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11O.BrH.Mg/c1-3-10-8-11-6-4-5-7-12(11)9-13(10)14-2;;/h3,5-9H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide?
magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide has a molecular weight of 287.44 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;7-ethenyl-6-methoxy-2H-naphthalen-2-ide;bromide is sourced from PubChem (CID 59266395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).