[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite

C12H9IO3 — CID 170237082

IUPAC[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite
SMILESOc1cc(O)cc(-c2cccc(OI)c2)c1
InChIInChI=1S/C12H9IO3/c13-16-12-3-1-2-8(6-12)9-4-10(14)7-11(15)5-9/h1-7,14-15H
InChIKeyRTSBPIHFVWJMOM-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.49
Rot. Bonds2

About [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite

[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite (PubChem CID 170237082) has the molecular formula C12H9IO3 and a molecular weight of 328.11 g/mol. Its IUPAC name is [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite
PubChem CID170237082
Molecular FormulaC12H9IO3
Molecular Weight328.11 g/mol
Exact Mass327.96
IUPAC Name[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite
SMILESOc1cc(O)cc(-c2cccc(OI)c2)c1
InChIInChI=1S/C12H9IO3/c13-16-12-3-1-2-8(6-12)9-4-10(14)7-11(15)5-9/h1-7,14-15H
InChIKeyRTSBPIHFVWJMOM-UHFFFAOYSA-N
XLogP3.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.49
H-Bond Donors ≤ 52
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 [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite?
The IUPAC name of [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite (CID 170237082) is [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite.
What is the SMILES notation for [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite?
The canonical SMILES for [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite is Oc1cc(O)cc(-c2cccc(OI)c2)c1.
What is the InChIKey of [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite?
The InChIKey is RTSBPIHFVWJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO3/c13-16-12-3-1-2-8(6-12)9-4-10(14)7-11(15)5-9/h1-7,14-15H.
What are the key properties of [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite?
[3-(3,5-dihydroxyphenyl)phenyl] hypoiodite has a molecular weight of 328.11 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dihydroxyphenyl)phenyl] hypoiodite is sourced from PubChem (CID 170237082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).