1-tert-butyl-3,5-diiodo-2-methylbenzene

C11H14I2 — CID 146354374

IUPAC1-tert-butyl-3,5-diiodo-2-methylbenzene
SMILESCc1c(I)cc(I)cc1C(C)(C)C
InChIInChI=1S/C11H14I2/c1-7-9(11(2,3)4)5-8(12)6-10(7)13/h5-6H,1-4H3
InChIKeyUVRVXZKSYBWELP-UHFFFAOYSA-N
MW400.04 g/mol
LogP4.50
Rot. Bonds

About 1-tert-butyl-3,5-diiodo-2-methylbenzene

1-tert-butyl-3,5-diiodo-2-methylbenzene (PubChem CID 146354374) has the molecular formula C11H14I2 and a molecular weight of 400.04 g/mol. Its IUPAC name is 1-tert-butyl-3,5-diiodo-2-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-diiodo-2-methylbenzene
PubChem CID146354374
Molecular FormulaC11H14I2
Molecular Weight400.04 g/mol
Exact Mass399.92
IUPAC Name1-tert-butyl-3,5-diiodo-2-methylbenzene
SMILESCc1c(I)cc(I)cc1C(C)(C)C
InChIInChI=1S/C11H14I2/c1-7-9(11(2,3)4)5-8(12)6-10(7)13/h5-6H,1-4H3
InChIKeyUVRVXZKSYBWELP-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.04
LogP ≤ 54.50
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-tert-butyl-3,5-diiodo-2-methylbenzene?
The IUPAC name of 1-tert-butyl-3,5-diiodo-2-methylbenzene (CID 146354374) is 1-tert-butyl-3,5-diiodo-2-methylbenzene.
What is the SMILES notation for 1-tert-butyl-3,5-diiodo-2-methylbenzene?
The canonical SMILES for 1-tert-butyl-3,5-diiodo-2-methylbenzene is Cc1c(I)cc(I)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,5-diiodo-2-methylbenzene?
The InChIKey is UVRVXZKSYBWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I2/c1-7-9(11(2,3)4)5-8(12)6-10(7)13/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3,5-diiodo-2-methylbenzene?
1-tert-butyl-3,5-diiodo-2-methylbenzene has a molecular weight of 400.04 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-diiodo-2-methylbenzene is sourced from PubChem (CID 146354374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).