magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide

C14H13BrMgO — CID 91658224

IUPACmagnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide
SMILESCc1[c-]ccc(OCc2ccccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H13O.BrH.Mg/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyWNLXWRQSXICTJA-UHFFFAOYSA-M
MW301.47 g/mol
LogP-0.00
Rot. Bonds3

About magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide

magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide (PubChem CID 91658224) has the molecular formula C14H13BrMgO and a molecular weight of 301.47 g/mol. Its IUPAC name is magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide
PubChem CID91658224
Molecular FormulaC14H13BrMgO
Molecular Weight301.47 g/mol
Exact Mass300.00
IUPAC Namemagnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide
SMILESCc1[c-]ccc(OCc2ccccc2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H13O.BrH.Mg/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyWNLXWRQSXICTJA-UHFFFAOYSA-M
XLogP-0.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 5-0.00
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;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide
CID 91655875
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide?
The IUPAC name of magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide (CID 91658224) is magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide?
The canonical SMILES for magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide is Cc1[c-]ccc(OCc2ccccc2)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide?
The InChIKey is WNLXWRQSXICTJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13O.BrH.Mg/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide?
magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide has a molecular weight of 301.47 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methyl-3-phenylmethoxybenzene-6-ide;bromide is sourced from PubChem (CID 91658224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).