magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide

C16H15BrMgO — CID 146001543

IUPACmagnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide
SMILESC=CCc1ccccc1OCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C16H15O.BrH.Mg/c1-2-8-15-11-6-7-12-16(15)17-13-14-9-4-3-5-10-14;;/h2-4,6-7,9-12H,1,8,13H2;1H;/q-1;;+2/p-1
InChIKeyOWVMAAYYRMSMOU-UHFFFAOYSA-M
MW327.50 g/mol
LogP0.42
Rot. Bonds5

About magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide

magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide (PubChem CID 146001543) has the molecular formula C16H15BrMgO and a molecular weight of 327.50 g/mol. Its IUPAC name is magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide
PubChem CID146001543
Molecular FormulaC16H15BrMgO
Molecular Weight327.50 g/mol
Exact Mass326.02
IUPAC Namemagnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide
SMILESC=CCc1ccccc1OCc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C16H15O.BrH.Mg/c1-2-8-15-11-6-7-12-16(15)17-13-14-9-4-3-5-10-14;;/h2-4,6-7,9-12H,1,8,13H2;1H;/q-1;;+2/p-1
InChIKeyOWVMAAYYRMSMOU-UHFFFAOYSA-M
XLogP0.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
CID 146001807
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
CID 91656298
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
N-(3-phenylmethoxy-4-prop-2-enylphenyl)acetamide
CID 18973919

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide?
The IUPAC name of magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide (CID 146001543) is magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide.
What is the SMILES notation for magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide?
The canonical SMILES for magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide is C=CCc1ccccc1OCc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide?
The InChIKey is OWVMAAYYRMSMOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15O.BrH.Mg/c1-2-8-15-11-6-7-12-16(15)17-13-14-9-4-3-5-10-14;;/h2-4,6-7,9-12H,1,8,13H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide?
magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide has a molecular weight of 327.50 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide is sourced from PubChem (CID 146001543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).