2,6-diiodo-3,5-dimethoxyphenol

C8H8I2O3 — CID 10501483

IUPAC2,6-diiodo-3,5-dimethoxyphenol
SMILESCOc1cc(OC)c(I)c(O)c1I
InChIInChI=1S/C8H8I2O3/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3,11H,1-2H3
InChIKeyDIYLXGJNDOKFPL-UHFFFAOYSA-N
MW405.96 g/mol
LogP2.62
Rot. Bonds2

About 2,6-diiodo-3,5-dimethoxyphenol

2,6-diiodo-3,5-dimethoxyphenol (PubChem CID 10501483) has the molecular formula C8H8I2O3 and a molecular weight of 405.96 g/mol. Its IUPAC name is 2,6-diiodo-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2,6-diiodo-3,5-dimethoxyphenol
PubChem CID10501483
Molecular FormulaC8H8I2O3
Molecular Weight405.96 g/mol
Exact Mass405.86
IUPAC Name2,6-diiodo-3,5-dimethoxyphenol
SMILESCOc1cc(OC)c(I)c(O)c1I
InChIInChI=1S/C8H8I2O3/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3,11H,1-2H3
InChIKeyDIYLXGJNDOKFPL-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-3,5-dimethoxyphenol?
The IUPAC name of 2,6-diiodo-3,5-dimethoxyphenol (CID 10501483) is 2,6-diiodo-3,5-dimethoxyphenol.
What is the SMILES notation for 2,6-diiodo-3,5-dimethoxyphenol?
The canonical SMILES for 2,6-diiodo-3,5-dimethoxyphenol is COc1cc(OC)c(I)c(O)c1I.
What is the InChIKey of 2,6-diiodo-3,5-dimethoxyphenol?
The InChIKey is DIYLXGJNDOKFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O3/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3,11H,1-2H3.
What are the key properties of 2,6-diiodo-3,5-dimethoxyphenol?
2,6-diiodo-3,5-dimethoxyphenol has a molecular weight of 405.96 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-3,5-dimethoxyphenol is sourced from PubChem (CID 10501483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).