1,3-diiodo-2-(2-methylpropyl)benzene

C10H12I2 — CID 59615643

IUPAC1,3-diiodo-2-(2-methylpropyl)benzene
SMILESCC(C)Cc1c(I)cccc1I
InChIInChI=1S/C10H12I2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyOWGOCHQRDFVYPX-UHFFFAOYSA-N
MW386.01 g/mol
LogP4.09
Rot. Bonds2

About 1,3-diiodo-2-(2-methylpropyl)benzene

1,3-diiodo-2-(2-methylpropyl)benzene (PubChem CID 59615643) has the molecular formula C10H12I2 and a molecular weight of 386.01 g/mol. Its IUPAC name is 1,3-diiodo-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,3-diiodo-2-(2-methylpropyl)benzene
PubChem CID59615643
Molecular FormulaC10H12I2
Molecular Weight386.01 g/mol
Exact Mass385.90
IUPAC Name1,3-diiodo-2-(2-methylpropyl)benzene
SMILESCC(C)Cc1c(I)cccc1I
InChIInChI=1S/C10H12I2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyOWGOCHQRDFVYPX-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.01
LogP ≤ 54.09
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 1,3-diiodo-2-(2-methylpropyl)benzene?
The IUPAC name of 1,3-diiodo-2-(2-methylpropyl)benzene (CID 59615643) is 1,3-diiodo-2-(2-methylpropyl)benzene.
What is the SMILES notation for 1,3-diiodo-2-(2-methylpropyl)benzene?
The canonical SMILES for 1,3-diiodo-2-(2-methylpropyl)benzene is CC(C)Cc1c(I)cccc1I.
What is the InChIKey of 1,3-diiodo-2-(2-methylpropyl)benzene?
The InChIKey is OWGOCHQRDFVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1,3-diiodo-2-(2-methylpropyl)benzene?
1,3-diiodo-2-(2-methylpropyl)benzene has a molecular weight of 386.01 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2-(2-methylpropyl)benzene is sourced from PubChem (CID 59615643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).