magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide

C38H41Br3CuIMgO4 — CID 157272506

IUPACmagnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide
SMILESC=CCc1ccc(OC)c(-c2ccc(OC)c(CC=C)c2)c1.COc1ccc(-c2cc(CBr)ccc2OC)cc1CBr.[Br-].[Cu]I.[H][C-]=C.[Mg+2]
InChIInChI=1S/C20H22O2.C16H16Br2O2.C2H3.BrH.Cu.HI.Mg/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2;1-19-15-6-4-12(8-13(15)10-18)14-7-11(9-17)3-5-16(14)20-2;1-2;;;;/h5-6,9-14H,1-2,7-8H2,3-4H3;3-8H,9-10H2,1-2H3;1H,2H2;1H;;1H;/q;;-1;;+1;;+2/p-2
InChIKeyXMSFQWFXFBRJJJ-UHFFFAOYSA-L
MW1016.21 g/mol
LogP8.10
Rot. Bonds12

About magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide

magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide (PubChem CID 157272506) has the molecular formula C38H41Br3CuIMgO4 and a molecular weight of 1016.21 g/mol. Its IUPAC name is magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide
PubChem CID157272506
Molecular FormulaC38H41Br3CuIMgO4
Molecular Weight1016.21 g/mol
Exact Mass1011.87
IUPAC Namemagnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide
SMILESC=CCc1ccc(OC)c(-c2ccc(OC)c(CC=C)c2)c1.COc1ccc(-c2cc(CBr)ccc2OC)cc1CBr.[Br-].[Cu]I.[H][C-]=C.[Mg+2]
InChIInChI=1S/C20H22O2.C16H16Br2O2.C2H3.BrH.Cu.HI.Mg/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2;1-19-15-6-4-12(8-13(15)10-18)14-7-11(9-17)3-5-16(14)20-2;1-2;;;;/h5-6,9-14H,1-2,7-8H2,3-4H3;3-8H,9-10H2,1-2H3;1H,2H2;1H;;1H;/q;;-1;;+1;;+2/p-2
InChIKeyXMSFQWFXFBRJJJ-UHFFFAOYSA-L
XLogP8.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.21
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide?
The IUPAC name of magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide (CID 157272506) is magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide.
What is the SMILES notation for magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide?
The canonical SMILES for magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide is C=CCc1ccc(OC)c(-c2ccc(OC)c(CC=C)c2)c1.COc1ccc(-c2cc(CBr)ccc2OC)cc1CBr.[Br-].[Cu]I.[H][C-]=C.[Mg+2].
What is the InChIKey of magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide?
The InChIKey is XMSFQWFXFBRJJJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H22O2.C16H16Br2O2.C2H3.BrH.Cu.HI.Mg/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2;1-19-15-6-4-12(8-13(15)10-18)14-7-11(9-17)3-5-16(14)20-2;1-2;;;;/h5-6,9-14H,1-2,7-8H2,3-4H3;3-8H,9-10H2,1-2H3;1H,2H2;1H;;1H;/q;;-1;;+1;;+2/p-2.
What are the key properties of magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide?
magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide has a molecular weight of 1016.21 g/mol, XLogP of 8.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(bromomethyl)-4-[5-(bromomethyl)-2-methoxyphenyl]-1-methoxybenzene;ethene;iodocopper;1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene;bromide is sourced from PubChem (CID 157272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).