3-(3-hydroxyphenyl)-4,5-diiodophenol

C12H8I2O2 — CID 54142920

IUPAC3-(3-hydroxyphenyl)-4,5-diiodophenol
SMILESOc1cccc(-c2cc(O)cc(I)c2I)c1
InChIInChI=1S/C12H8I2O2/c13-11-6-9(16)5-10(12(11)14)7-2-1-3-8(15)4-7/h1-6,15-16H
InChIKeyOCIKDTIIPRPJAL-UHFFFAOYSA-N
MW438.00 g/mol
LogP3.97
Rot. Bonds1

About 3-(3-hydroxyphenyl)-4,5-diiodophenol

3-(3-hydroxyphenyl)-4,5-diiodophenol (PubChem CID 54142920) has the molecular formula C12H8I2O2 and a molecular weight of 438.00 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4,5-diiodophenol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4,5-diiodophenol
PubChem CID54142920
Molecular FormulaC12H8I2O2
Molecular Weight438.00 g/mol
Exact Mass437.86
IUPAC Name3-(3-hydroxyphenyl)-4,5-diiodophenol
SMILESOc1cccc(-c2cc(O)cc(I)c2I)c1
InChIInChI=1S/C12H8I2O2/c13-11-6-9(16)5-10(12(11)14)7-2-1-3-8(15)4-7/h1-6,15-16H
InChIKeyOCIKDTIIPRPJAL-UHFFFAOYSA-N
XLogP3.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.00
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-hydroxyphenyl)-4,5-diiodophenol?
The IUPAC name of 3-(3-hydroxyphenyl)-4,5-diiodophenol (CID 54142920) is 3-(3-hydroxyphenyl)-4,5-diiodophenol.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4,5-diiodophenol?
The canonical SMILES for 3-(3-hydroxyphenyl)-4,5-diiodophenol is Oc1cccc(-c2cc(O)cc(I)c2I)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4,5-diiodophenol?
The InChIKey is OCIKDTIIPRPJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8I2O2/c13-11-6-9(16)5-10(12(11)14)7-2-1-3-8(15)4-7/h1-6,15-16H.
What are the key properties of 3-(3-hydroxyphenyl)-4,5-diiodophenol?
3-(3-hydroxyphenyl)-4,5-diiodophenol has a molecular weight of 438.00 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-4,5-diiodophenol is sourced from PubChem (CID 54142920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).