magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide

C12H11BrMgO — CID 134068174

IUPACmagnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide
SMILESCOCc1ccc2c[c-]ccc2c1.[Br-].[Mg+2]
InChIInChI=1S/C12H11O.BrH.Mg/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10;;/h3-8H,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQRPHKKLEYZHAAM-UHFFFAOYSA-M
MW275.43 g/mol
LogP-0.59
Rot. Bonds2

About magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide

magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide (PubChem CID 134068174) has the molecular formula C12H11BrMgO and a molecular weight of 275.43 g/mol. Its IUPAC name is magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide
PubChem CID134068174
Molecular FormulaC12H11BrMgO
Molecular Weight275.43 g/mol
Exact Mass273.98
IUPAC Namemagnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide
SMILESCOCc1ccc2c[c-]ccc2c1.[Br-].[Mg+2]
InChIInChI=1S/C12H11O.BrH.Mg/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10;;/h3-8H,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQRPHKKLEYZHAAM-UHFFFAOYSA-M
XLogP-0.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 5-0.59
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;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide?
The IUPAC name of magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide (CID 134068174) is magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide.
What is the SMILES notation for magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide?
The canonical SMILES for magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide is COCc1ccc2c[c-]ccc2c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide?
The InChIKey is QRPHKKLEYZHAAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O.BrH.Mg/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10;;/h3-8H,9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide?
magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide has a molecular weight of 275.43 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-(methoxymethyl)-2H-naphthalen-2-ide;bromide is sourced from PubChem (CID 134068174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).