1-hydroperoxy-2-iodobenzene

C6H5IO2 — CID 164852676

IUPAC1-hydroperoxy-2-iodobenzene
SMILESOOc1ccccc1I
InChIInChI=1S/C6H5IO2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeyMJYMNEYMZOGJGO-UHFFFAOYSA-N
MW236.01 g/mol
LogP2.14
Rot. Bonds1

About 1-hydroperoxy-2-iodobenzene

1-hydroperoxy-2-iodobenzene (PubChem CID 164852676) has the molecular formula C6H5IO2 and a molecular weight of 236.01 g/mol. Its IUPAC name is 1-hydroperoxy-2-iodobenzene.

Molecular Properties

Compound Name1-hydroperoxy-2-iodobenzene
PubChem CID164852676
Molecular FormulaC6H5IO2
Molecular Weight236.01 g/mol
Exact Mass235.93
IUPAC Name1-hydroperoxy-2-iodobenzene
SMILESOOc1ccccc1I
InChIInChI=1S/C6H5IO2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H
InChIKeyMJYMNEYMZOGJGO-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-2-iodobenzene?
The IUPAC name of 1-hydroperoxy-2-iodobenzene (CID 164852676) is 1-hydroperoxy-2-iodobenzene.
What is the SMILES notation for 1-hydroperoxy-2-iodobenzene?
The canonical SMILES for 1-hydroperoxy-2-iodobenzene is OOc1ccccc1I.
What is the InChIKey of 1-hydroperoxy-2-iodobenzene?
The InChIKey is MJYMNEYMZOGJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO2/c7-5-3-1-2-4-6(5)9-8/h1-4,8H.
What are the key properties of 1-hydroperoxy-2-iodobenzene?
1-hydroperoxy-2-iodobenzene has a molecular weight of 236.01 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2-iodobenzene is sourced from PubChem (CID 164852676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).