3,5-diiodophenol

C6H4I2O — CID 15505783

IUPAC3,5-diiodophenol
SMILESOc1cc(I)cc(I)c1
InChIInChI=1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKeyKYRNAIDRKAWDLJ-UHFFFAOYSA-N
MW345.91 g/mol
LogP2.60
Rot. Bonds

About 3,5-diiodophenol

3,5-diiodophenol (PubChem CID 15505783) has the molecular formula C6H4I2O and a molecular weight of 345.91 g/mol. Its IUPAC name is 3,5-diiodophenol.

Molecular Properties

Compound Name3,5-diiodophenol
PubChem CID15505783
Molecular FormulaC6H4I2O
Molecular Weight345.91 g/mol
Exact Mass345.84
IUPAC Name3,5-diiodophenol
SMILESOc1cc(I)cc(I)c1
InChIInChI=1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKeyKYRNAIDRKAWDLJ-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 3,5-diiodophenol?
The IUPAC name of 3,5-diiodophenol (CID 15505783) is 3,5-diiodophenol.
What is the SMILES notation for 3,5-diiodophenol?
The canonical SMILES for 3,5-diiodophenol is Oc1cc(I)cc(I)c1.
What is the InChIKey of 3,5-diiodophenol?
The InChIKey is KYRNAIDRKAWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H.
What are the key properties of 3,5-diiodophenol?
3,5-diiodophenol has a molecular weight of 345.91 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodophenol is sourced from PubChem (CID 15505783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).