zinc 1-(2-iodoethyl)-2-methylbenzene

C9H11IZn+2 — CID 18402556

IUPACzinc 1-(2-iodoethyl)-2-methylbenzene
SMILESCc1ccccc1CCI.[Zn+2]
InChIInChI=1S/C9H11I.Zn/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7H2,1H3;/q;+2
InChIKeyGXQITYRVDZHDBG-UHFFFAOYSA-N
MW311.48 g/mol
LogP2.97
Rot. Bonds2

About zinc 1-(2-iodoethyl)-2-methylbenzene

zinc 1-(2-iodoethyl)-2-methylbenzene (PubChem CID 18402556) has the molecular formula C9H11IZn+2 and a molecular weight of 311.48 g/mol. Its IUPAC name is zinc 1-(2-iodoethyl)-2-methylbenzene.

Molecular Properties

Compound Namezinc 1-(2-iodoethyl)-2-methylbenzene
PubChem CID18402556
Molecular FormulaC9H11IZn+2
Molecular Weight311.48 g/mol
Exact Mass309.92
IUPAC Namezinc 1-(2-iodoethyl)-2-methylbenzene
SMILESCc1ccccc1CCI.[Zn+2]
InChIInChI=1S/C9H11I.Zn/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7H2,1H3;/q;+2
InChIKeyGXQITYRVDZHDBG-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 140700178
CID 140700178
CID 57429570
CID 57429570
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-methyl-2-pentylbenzene
CID 524553
3-(2-methylphenyl)propanal
CID 15191870
2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
3-(2-methylphenyl)propan-1-one;yttrium(3+)
CID 23600133
3-(2-methylphenyl)propane-1,1,1-triol
CID 141357716

Frequently Asked Questions

What is the IUPAC name of zinc 1-(2-iodoethyl)-2-methylbenzene?
The IUPAC name of zinc 1-(2-iodoethyl)-2-methylbenzene (CID 18402556) is zinc 1-(2-iodoethyl)-2-methylbenzene.
What is the SMILES notation for zinc 1-(2-iodoethyl)-2-methylbenzene?
The canonical SMILES for zinc 1-(2-iodoethyl)-2-methylbenzene is Cc1ccccc1CCI.[Zn+2].
What is the InChIKey of zinc 1-(2-iodoethyl)-2-methylbenzene?
The InChIKey is GXQITYRVDZHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11I.Zn/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7H2,1H3;/q;+2.
What are the key properties of zinc 1-(2-iodoethyl)-2-methylbenzene?
zinc 1-(2-iodoethyl)-2-methylbenzene has a molecular weight of 311.48 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 1-(2-iodoethyl)-2-methylbenzene is sourced from PubChem (CID 18402556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).