(2,3,5,6-tetramethylphenyl) hypoiodite

C10H13IO — CID 88590021

IUPAC(2,3,5,6-tetramethylphenyl) hypoiodite
SMILESCc1cc(C)c(C)c(OI)c1C
InChIInChI=1S/C10H13IO/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5H,1-4H3
InChIKeyKLDOXHJEARMCCF-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.65
Rot. Bonds1

About (2,3,5,6-tetramethylphenyl) hypoiodite

(2,3,5,6-tetramethylphenyl) hypoiodite (PubChem CID 88590021) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is (2,3,5,6-tetramethylphenyl) hypoiodite.

Molecular Properties

Compound Name(2,3,5,6-tetramethylphenyl) hypoiodite
PubChem CID88590021
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name(2,3,5,6-tetramethylphenyl) hypoiodite
SMILESCc1cc(C)c(C)c(OI)c1C
InChIInChI=1S/C10H13IO/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5H,1-4H3
InChIKeyKLDOXHJEARMCCF-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.65
H-Bond Donors ≤ 50
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 (2,3,5,6-tetramethylphenyl) hypoiodite?
The IUPAC name of (2,3,5,6-tetramethylphenyl) hypoiodite (CID 88590021) is (2,3,5,6-tetramethylphenyl) hypoiodite.
What is the SMILES notation for (2,3,5,6-tetramethylphenyl) hypoiodite?
The canonical SMILES for (2,3,5,6-tetramethylphenyl) hypoiodite is Cc1cc(C)c(C)c(OI)c1C.
What is the InChIKey of (2,3,5,6-tetramethylphenyl) hypoiodite?
The InChIKey is KLDOXHJEARMCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5H,1-4H3.
What are the key properties of (2,3,5,6-tetramethylphenyl) hypoiodite?
(2,3,5,6-tetramethylphenyl) hypoiodite has a molecular weight of 276.12 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetramethylphenyl) hypoiodite is sourced from PubChem (CID 88590021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).