4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol

C13H10I2O2 — CID 54004873

IUPAC4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol
SMILESOc1ccc(Cc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C13H10I2O2/c14-11-6-9(7-12(15)13(11)17)5-8-1-3-10(16)4-2-8/h1-4,6-7,16-17H,5H2
InChIKeyKODQUKSTBBDUMO-UHFFFAOYSA-N
MW452.03 g/mol
LogP3.90
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol

4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol (PubChem CID 54004873) has the molecular formula C13H10I2O2 and a molecular weight of 452.03 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol
PubChem CID54004873
Molecular FormulaC13H10I2O2
Molecular Weight452.03 g/mol
Exact Mass451.88
IUPAC Name4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol
SMILESOc1ccc(Cc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C13H10I2O2/c14-11-6-9(7-12(15)13(11)17)5-8-1-3-10(16)4-2-8/h1-4,6-7,16-17H,5H2
InChIKeyKODQUKSTBBDUMO-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.03
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol (CID 54004873) is 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol is Oc1ccc(Cc2cc(I)c(O)c(I)c2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The InChIKey is KODQUKSTBBDUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10I2O2/c14-11-6-9(7-12(15)13(11)17)5-8-1-3-10(16)4-2-8/h1-4,6-7,16-17H,5H2.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol has a molecular weight of 452.03 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol is sourced from PubChem (CID 54004873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).