[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide

C20H28INOSi — CID 10479067

IUPAC[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
SMILESCOc1ccc([C@H]2c3ccccc3C[N@@+]2(C)C[Si](C)(C)C)cc1.[I-]
InChIInChI=1S/C20H28NOSi.HI/c1-21(15-23(3,4)5)14-17-8-6-7-9-19(17)20(21)16-10-12-18(22-2)13-11-16;/h6-13,20H,14-15H2,1-5H3;1H/q+1;/p-1/t20-,21-;/m0./s1
InChIKeyLIVCIKAHOJTLAH-GUTACTQSSA-M
MW453.44 g/mol
LogP1.63
Rot. Bonds4

About [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide

[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide (PubChem CID 10479067) has the molecular formula C20H28INOSi and a molecular weight of 453.44 g/mol. Its IUPAC name is [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide.

Molecular Properties

Compound Name[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
PubChem CID10479067
Molecular FormulaC20H28INOSi
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC Name[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
SMILESCOc1ccc([C@H]2c3ccccc3C[N@@+]2(C)C[Si](C)(C)C)cc1.[I-]
InChIInChI=1S/C20H28NOSi.HI/c1-21(15-23(3,4)5)14-17-8-6-7-9-19(17)20(21)16-10-12-18(22-2)13-11-16;/h6-13,20H,14-15H2,1-5H3;1H/q+1;/p-1/t20-,21-;/m0./s1
InChIKeyLIVCIKAHOJTLAH-GUTACTQSSA-M
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
CID 10387574
trimethyl-[[(2S,3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl]silane iodide
CID 10029159
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
CID 10249736
5-(4-methoxyphenyl)-11-methyl-2,3,5,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazin-11-ium
CID 44725556
(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 11688277
1-(4-methoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-5-carbonitrile
CID 13082328
1-(5-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-1-methylazetidin-1-ium-3-amine
CID 90474945
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
1-[3-(4-methoxyphenyl)-4-methyl-4-(trimethylsilylmethyl)piperazin-4-ium-1-yl]ethanone
CID 10434473
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide?
The IUPAC name of [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide (CID 10479067) is [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide.
What is the SMILES notation for [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide?
The canonical SMILES for [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide is COc1ccc([C@H]2c3ccccc3C[N@@+]2(C)C[Si](C)(C)C)cc1.[I-].
What is the InChIKey of [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide?
The InChIKey is LIVCIKAHOJTLAH-GUTACTQSSA-M. The full InChI is InChI=1S/C20H28NOSi.HI/c1-21(15-23(3,4)5)14-17-8-6-7-9-19(17)20(21)16-10-12-18(22-2)13-11-16;/h6-13,20H,14-15H2,1-5H3;1H/q+1;/p-1/t20-,21-;/m0./s1.
What are the key properties of [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide?
[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide has a molecular weight of 453.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide is sourced from PubChem (CID 10479067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).