dimethoxy(phenyl)-lambda3-iodane

C8H11IO2 — CID 13096379

IUPACdimethoxy(phenyl)-lambda3-iodane
SMILESCOI(OC)c1ccccc1
InChIInChI=1S/C8H11IO2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeySSTLWHMWDMWENH-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.49
Rot. Bonds3

About dimethoxy(phenyl)-lambda3-iodane

dimethoxy(phenyl)-lambda3-iodane (PubChem CID 13096379) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is dimethoxy(phenyl)-lambda3-iodane.

Molecular Properties

Compound Namedimethoxy(phenyl)-lambda3-iodane
PubChem CID13096379
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Namedimethoxy(phenyl)-lambda3-iodane
SMILESCOI(OC)c1ccccc1
InChIInChI=1S/C8H11IO2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeySSTLWHMWDMWENH-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 dimethoxy(phenyl)-lambda3-iodane?
The IUPAC name of dimethoxy(phenyl)-lambda3-iodane (CID 13096379) is dimethoxy(phenyl)-lambda3-iodane.
What is the SMILES notation for dimethoxy(phenyl)-lambda3-iodane?
The canonical SMILES for dimethoxy(phenyl)-lambda3-iodane is COI(OC)c1ccccc1.
What is the InChIKey of dimethoxy(phenyl)-lambda3-iodane?
The InChIKey is SSTLWHMWDMWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of dimethoxy(phenyl)-lambda3-iodane?
dimethoxy(phenyl)-lambda3-iodane has a molecular weight of 266.08 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(phenyl)-lambda3-iodane is sourced from PubChem (CID 13096379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).