1,4-diiodo-2-methoxybenzene

C7H6I2O — CID 23154690

IUPAC1,4-diiodo-2-methoxybenzene
SMILESCOc1cc(I)ccc1I
InChIInChI=1S/C7H6I2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyOXEFAVJGDUTEQN-UHFFFAOYSA-N
MW359.93 g/mol
LogP2.90
Rot. Bonds1

About 1,4-diiodo-2-methoxybenzene

1,4-diiodo-2-methoxybenzene (PubChem CID 23154690) has the molecular formula C7H6I2O and a molecular weight of 359.93 g/mol. Its IUPAC name is 1,4-diiodo-2-methoxybenzene.

Molecular Properties

Compound Name1,4-diiodo-2-methoxybenzene
PubChem CID23154690
Molecular FormulaC7H6I2O
Molecular Weight359.93 g/mol
Exact Mass359.85
IUPAC Name1,4-diiodo-2-methoxybenzene
SMILESCOc1cc(I)ccc1I
InChIInChI=1S/C7H6I2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyOXEFAVJGDUTEQN-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-2-methoxybenzene?
The IUPAC name of 1,4-diiodo-2-methoxybenzene (CID 23154690) is 1,4-diiodo-2-methoxybenzene.
What is the SMILES notation for 1,4-diiodo-2-methoxybenzene?
The canonical SMILES for 1,4-diiodo-2-methoxybenzene is COc1cc(I)ccc1I.
What is the InChIKey of 1,4-diiodo-2-methoxybenzene?
The InChIKey is OXEFAVJGDUTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3.
What are the key properties of 1,4-diiodo-2-methoxybenzene?
1,4-diiodo-2-methoxybenzene has a molecular weight of 359.93 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodo-2-methoxybenzene is sourced from PubChem (CID 23154690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).