magnesium;1,2,3-trimethoxybenzene-5-ide;chloride

C9H11ClMgO3 — CID 12820695

IUPACmagnesium;1,2,3-trimethoxybenzene-5-ide;chloride
SMILESCOc1c[c-]cc(OC)c1OC.[Cl-].[Mg+2]
InChIInChI=1S/C9H11O3.ClH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyYPRBMCAUSFFDKR-UHFFFAOYSA-M
MW226.94 g/mol
LogP-1.86
Rot. Bonds3

About magnesium;1,2,3-trimethoxybenzene-5-ide;chloride

magnesium;1,2,3-trimethoxybenzene-5-ide;chloride (PubChem CID 12820695) has the molecular formula C9H11ClMgO3 and a molecular weight of 226.94 g/mol. Its IUPAC name is magnesium;1,2,3-trimethoxybenzene-5-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,2,3-trimethoxybenzene-5-ide;chloride
PubChem CID12820695
Molecular FormulaC9H11ClMgO3
Molecular Weight226.94 g/mol
Exact Mass226.02
IUPAC Namemagnesium;1,2,3-trimethoxybenzene-5-ide;chloride
SMILESCOc1c[c-]cc(OC)c1OC.[Cl-].[Mg+2]
InChIInChI=1S/C9H11O3.ClH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyYPRBMCAUSFFDKR-UHFFFAOYSA-M
XLogP-1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.94
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-trimethoxybenzene-5-ide;chloride?
The IUPAC name of magnesium;1,2,3-trimethoxybenzene-5-ide;chloride (CID 12820695) is magnesium;1,2,3-trimethoxybenzene-5-ide;chloride.
What is the SMILES notation for magnesium;1,2,3-trimethoxybenzene-5-ide;chloride?
The canonical SMILES for magnesium;1,2,3-trimethoxybenzene-5-ide;chloride is COc1c[c-]cc(OC)c1OC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,2,3-trimethoxybenzene-5-ide;chloride?
The InChIKey is YPRBMCAUSFFDKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O3.ClH.Mg/c1-10-7-5-4-6-8(11-2)9(7)12-3;;/h5-6H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2,3-trimethoxybenzene-5-ide;chloride?
magnesium;1,2,3-trimethoxybenzene-5-ide;chloride has a molecular weight of 226.94 g/mol, XLogP of -1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,3-trimethoxybenzene-5-ide;chloride is sourced from PubChem (CID 12820695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).