magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide

C24H21I2MgNO2 — CID 134974609

IUPACmagnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide
SMILES[I-].[Mg+2].[O-]c1c(CCI)c2ccc(OCc3ccccc3)cc2n1Cc1ccccc1
InChIInChI=1S/C24H22INO2.HI.Mg/c25-14-13-22-21-12-11-20(28-17-19-9-5-2-6-10-19)15-23(21)26(24(22)27)16-18-7-3-1-4-8-18;;/h1-12,15,27H,13-14,16-17H2;1H;/q;;+2/p-2
InChIKeyMWEZEWKJSUPPKU-UHFFFAOYSA-L
MW633.55 g/mol
LogP1.94
Rot. Bonds7

About magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide

magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide (PubChem CID 134974609) has the molecular formula C24H21I2MgNO2 and a molecular weight of 633.55 g/mol. Its IUPAC name is magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide.

Molecular Properties

Compound Namemagnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide
PubChem CID134974609
Molecular FormulaC24H21I2MgNO2
Molecular Weight633.55 g/mol
Exact Mass632.95
IUPAC Namemagnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide
SMILES[I-].[Mg+2].[O-]c1c(CCI)c2ccc(OCc3ccccc3)cc2n1Cc1ccccc1
InChIInChI=1S/C24H22INO2.HI.Mg/c25-14-13-22-21-12-11-20(28-17-19-9-5-2-6-10-19)15-23(21)26(24(22)27)16-18-7-3-1-4-8-18;;/h1-12,15,27H,13-14,16-17H2;1H;/q;;+2/p-2
InChIKeyMWEZEWKJSUPPKU-UHFFFAOYSA-L
XLogP1.94
TPSA37.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.55
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide?
The IUPAC name of magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide (CID 134974609) is magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide.
What is the SMILES notation for magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide?
The canonical SMILES for magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide is [I-].[Mg+2].[O-]c1c(CCI)c2ccc(OCc3ccccc3)cc2n1Cc1ccccc1.
What is the InChIKey of magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide?
The InChIKey is MWEZEWKJSUPPKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H22INO2.HI.Mg/c25-14-13-22-21-12-11-20(28-17-19-9-5-2-6-10-19)15-23(21)26(24(22)27)16-18-7-3-1-4-8-18;;/h1-12,15,27H,13-14,16-17H2;1H;/q;;+2/p-2.
What are the key properties of magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide?
magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide has a molecular weight of 633.55 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide is sourced from PubChem (CID 134974609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).