2,6-diiodo-4-methylphenol

C7H6I2O — CID 4541084

IUPAC2,6-diiodo-4-methylphenol
SMILESCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H6I2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyYLNIUGKLFHIHRA-UHFFFAOYSA-N
MW359.93 g/mol
LogP2.91
Rot. Bonds

About 2,6-diiodo-4-methylphenol

2,6-diiodo-4-methylphenol (PubChem CID 4541084) has the molecular formula C7H6I2O and a molecular weight of 359.93 g/mol. Its IUPAC name is 2,6-diiodo-4-methylphenol.

Molecular Properties

Compound Name2,6-diiodo-4-methylphenol
PubChem CID4541084
Molecular FormulaC7H6I2O
Molecular Weight359.93 g/mol
Exact Mass359.85
IUPAC Name2,6-diiodo-4-methylphenol
SMILESCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H6I2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyYLNIUGKLFHIHRA-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 52.91
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 2,6-diiodo-4-methylphenol?
The IUPAC name of 2,6-diiodo-4-methylphenol (CID 4541084) is 2,6-diiodo-4-methylphenol.
What is the SMILES notation for 2,6-diiodo-4-methylphenol?
The canonical SMILES for 2,6-diiodo-4-methylphenol is Cc1cc(I)c(O)c(I)c1.
What is the InChIKey of 2,6-diiodo-4-methylphenol?
The InChIKey is YLNIUGKLFHIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3.
What are the key properties of 2,6-diiodo-4-methylphenol?
2,6-diiodo-4-methylphenol has a molecular weight of 359.93 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-methylphenol is sourced from PubChem (CID 4541084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).