magnesium;phenoxybenzene;chloride

C12H9ClMgO — CID 139896734

IUPACmagnesium;phenoxybenzene;chloride
SMILES[Cl-].[Mg+2].[c-]1ccccc1Oc1ccccc1
InChIInChI=1S/C12H9O.ClH.Mg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-9H;1H;/q-1;;+2/p-1
InChIKeyRPGZYWGENXCVOV-UHFFFAOYSA-M
MW228.96 g/mol
LogP-0.10
Rot. Bonds2

About magnesium;phenoxybenzene;chloride

magnesium;phenoxybenzene;chloride (PubChem CID 139896734) has the molecular formula C12H9ClMgO and a molecular weight of 228.96 g/mol. Its IUPAC name is magnesium;phenoxybenzene;chloride.

Molecular Properties

Compound Namemagnesium;phenoxybenzene;chloride
PubChem CID139896734
Molecular FormulaC12H9ClMgO
Molecular Weight228.96 g/mol
Exact Mass228.02
IUPAC Namemagnesium;phenoxybenzene;chloride
SMILES[Cl-].[Mg+2].[c-]1ccccc1Oc1ccccc1
InChIInChI=1S/C12H9O.ClH.Mg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-9H;1H;/q-1;;+2/p-1
InChIKeyRPGZYWGENXCVOV-UHFFFAOYSA-M
XLogP-0.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.96
LogP ≤ 5-0.10
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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Related Compounds

sodium phenylperoxybenzene
CID 174640898
bis(chloropalladium(1+));bis(diphenyl phenyl phosphite)
CID 71573919
methanidyloxybenzene;uranium(2+)
CID 145059965
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium;hydride;phenoxybenzene
CID 173391576
lithium ethoxybenzene
CID 15579198
chlorobenzene;phenoxybenzene
CID 66911253
magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide
CID 87198252
carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine
CID 58402214
iridium;[6-(phenoxy)-2-pyridinyl]methanamine
CID 58107020

Frequently Asked Questions

What is the IUPAC name of magnesium;phenoxybenzene;chloride?
The IUPAC name of magnesium;phenoxybenzene;chloride (CID 139896734) is magnesium;phenoxybenzene;chloride.
What is the SMILES notation for magnesium;phenoxybenzene;chloride?
The canonical SMILES for magnesium;phenoxybenzene;chloride is [Cl-].[Mg+2].[c-]1ccccc1Oc1ccccc1.
What is the InChIKey of magnesium;phenoxybenzene;chloride?
The InChIKey is RPGZYWGENXCVOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9O.ClH.Mg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-9H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;phenoxybenzene;chloride?
magnesium;phenoxybenzene;chloride has a molecular weight of 228.96 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;phenoxybenzene;chloride is sourced from PubChem (CID 139896734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).