magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide

C11H15BrMgO — CID 91657502

IUPACmagnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide
SMILESCCCOc1c(C)c[c-]cc1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-4-8-12-11-9(2)6-5-7-10(11)3;;/h6-7H,4,8H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyLWCPWXNIGGKMIX-UHFFFAOYSA-M
MW267.45 g/mol
LogP-0.48
Rot. Bonds3

About magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide

magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide (PubChem CID 91657502) has the molecular formula C11H15BrMgO and a molecular weight of 267.45 g/mol. Its IUPAC name is magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide
PubChem CID91657502
Molecular FormulaC11H15BrMgO
Molecular Weight267.45 g/mol
Exact Mass266.02
IUPAC Namemagnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide
SMILESCCCOc1c(C)c[c-]cc1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-4-8-12-11-9(2)6-5-7-10(11)3;;/h6-7H,4,8H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyLWCPWXNIGGKMIX-UHFFFAOYSA-M
XLogP-0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 5-0.48
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

magnesium;2-ethoxy-1,3-dimethylbenzene-5-ide;bromide
CID 91656749
1,3-dimethyl-2-propoxybenzene
CID 579040
1-(3,5-dimethyl-4-propoxyphenyl)ethanol
CID 91657661
magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide
CID 91655532
magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide
CID 91656071
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
1,3,5-trichloro-2,4,6-tripropoxybenzene
CID 88760261
4-(3,5-dimethyl-4-propoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586687
1,2,3-trichloro-4,5,6-tripropoxybenzene
CID 20565990
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
CID 82552354
ethane;3-methyl-2-propoxyphenol
CID 143473467
1-bromo-3-methyl-2-propoxybenzene
CID 58352154

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide (CID 91657502) is magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide is CCCOc1c(C)c[c-]cc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide?
The InChIKey is LWCPWXNIGGKMIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O.BrH.Mg/c1-4-8-12-11-9(2)6-5-7-10(11)3;;/h6-7H,4,8H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide?
magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide has a molecular weight of 267.45 g/mol, XLogP of -0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide is sourced from PubChem (CID 91657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).