1,5-diiodo-2,4-dimethylbenzene

C8H8I2 — CID 12575960

IUPAC1,5-diiodo-2,4-dimethylbenzene
SMILESCc1cc(C)c(I)cc1I
InChIInChI=1S/C8H8I2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKeyZOOZGIAPEXFLEF-UHFFFAOYSA-N
MW357.96 g/mol
LogP3.51
Rot. Bonds

About 1,5-diiodo-2,4-dimethylbenzene

1,5-diiodo-2,4-dimethylbenzene (PubChem CID 12575960) has the molecular formula C8H8I2 and a molecular weight of 357.96 g/mol. Its IUPAC name is 1,5-diiodo-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,5-diiodo-2,4-dimethylbenzene
PubChem CID12575960
Molecular FormulaC8H8I2
Molecular Weight357.96 g/mol
Exact Mass357.87
IUPAC Name1,5-diiodo-2,4-dimethylbenzene
SMILESCc1cc(C)c(I)cc1I
InChIInChI=1S/C8H8I2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKeyZOOZGIAPEXFLEF-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.96
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diiodo-2,4-dimethylbenzene?
The IUPAC name of 1,5-diiodo-2,4-dimethylbenzene (CID 12575960) is 1,5-diiodo-2,4-dimethylbenzene.
What is the SMILES notation for 1,5-diiodo-2,4-dimethylbenzene?
The canonical SMILES for 1,5-diiodo-2,4-dimethylbenzene is Cc1cc(C)c(I)cc1I.
What is the InChIKey of 1,5-diiodo-2,4-dimethylbenzene?
The InChIKey is ZOOZGIAPEXFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3.
What are the key properties of 1,5-diiodo-2,4-dimethylbenzene?
1,5-diiodo-2,4-dimethylbenzene has a molecular weight of 357.96 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodo-2,4-dimethylbenzene is sourced from PubChem (CID 12575960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).