2-iodoethylbenzene;zinc

C8H9IZn — CID 70126598

IUPAC2-iodoethylbenzene;zinc
SMILESICCc1ccccc1.[Zn]
InChIInChI=1S/C8H9I.Zn/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;
InChIKeyXVUYZHLZNQCNIW-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.66
Rot. Bonds2

About 2-iodoethylbenzene;zinc

2-iodoethylbenzene;zinc (PubChem CID 70126598) has the molecular formula C8H9IZn and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-iodoethylbenzene;zinc.

Molecular Properties

Compound Name2-iodoethylbenzene;zinc
PubChem CID70126598
Molecular FormulaC8H9IZn
Molecular Weight297.45 g/mol
Exact Mass295.90
IUPAC Name2-iodoethylbenzene;zinc
SMILESICCc1ccccc1.[Zn]
InChIInChI=1S/C8H9I.Zn/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;
InChIKeyXVUYZHLZNQCNIW-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.66
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

benzene;2-phenylethylbenzene
CID 18982764
7-iodoheptylbenzene
CID 14529673
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
8-iodooct-4-ynylbenzene
CID 139920502
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659
CID 159131095
CID 159131095
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 2-iodoethylbenzene;zinc?
The IUPAC name of 2-iodoethylbenzene;zinc (CID 70126598) is 2-iodoethylbenzene;zinc.
What is the SMILES notation for 2-iodoethylbenzene;zinc?
The canonical SMILES for 2-iodoethylbenzene;zinc is ICCc1ccccc1.[Zn].
What is the InChIKey of 2-iodoethylbenzene;zinc?
The InChIKey is XVUYZHLZNQCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I.Zn/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;.
What are the key properties of 2-iodoethylbenzene;zinc?
2-iodoethylbenzene;zinc has a molecular weight of 297.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethylbenzene;zinc is sourced from PubChem (CID 70126598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).