magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide

C15H15BrMgO — CID 146001559

IUPACmagnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide
SMILESCc1ccc(OCc2[c-]cccc2)cc1C.[Br-].[Mg+2]
InChIInChI=1S/C15H15O.BrH.Mg/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14;;/h3-6,8-10H,11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYJDOWBFAODZIAP-UHFFFAOYSA-M
MW315.49 g/mol
LogP0.31
Rot. Bonds3

About magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide

magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide (PubChem CID 146001559) has the molecular formula C15H15BrMgO and a molecular weight of 315.49 g/mol. Its IUPAC name is magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide.

Molecular Properties

Compound Namemagnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide
PubChem CID146001559
Molecular FormulaC15H15BrMgO
Molecular Weight315.49 g/mol
Exact Mass314.02
IUPAC Namemagnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide
SMILESCc1ccc(OCc2[c-]cccc2)cc1C.[Br-].[Mg+2]
InChIInChI=1S/C15H15O.BrH.Mg/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14;;/h3-6,8-10H,11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyYJDOWBFAODZIAP-UHFFFAOYSA-M
XLogP0.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 50.31
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

bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002159
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452521
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide
CID 91658224
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-[(3,4-dimethylphenoxy)methyl]pyrimidine-5-carbaldehyde
CID 99976309

Frequently Asked Questions

What is the IUPAC name of magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide?
The IUPAC name of magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide (CID 146001559) is magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide.
What is the SMILES notation for magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide?
The canonical SMILES for magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide is Cc1ccc(OCc2[c-]cccc2)cc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide?
The InChIKey is YJDOWBFAODZIAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15O.BrH.Mg/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14;;/h3-6,8-10H,11H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide?
magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide has a molecular weight of 315.49 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide is sourced from PubChem (CID 146001559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).