1-iodo-4-(methylperoxymethyl)benzene

C8H9IO2 — CID 89130854

IUPAC1-iodo-4-(methylperoxymethyl)benzene
SMILESCOOCc1ccc(I)cc1
InChIInChI=1S/C8H9IO2/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyXSLAYQKWMKUBBI-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.37
Rot. Bonds3

About 1-iodo-4-(methylperoxymethyl)benzene

1-iodo-4-(methylperoxymethyl)benzene (PubChem CID 89130854) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 1-iodo-4-(methylperoxymethyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(methylperoxymethyl)benzene
PubChem CID89130854
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name1-iodo-4-(methylperoxymethyl)benzene
SMILESCOOCc1ccc(I)cc1
InChIInChI=1S/C8H9IO2/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyXSLAYQKWMKUBBI-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
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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Related Compounds

1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
(4-iodophenyl)methyl methanesulfonate
CID 11109725
2-[2-[2-[2-[(4-iodophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23598251
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
(4-iodophenyl)methyl sulfite
CID 174745902
3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
CID 81217476
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(methylperoxymethyl)benzene?
The IUPAC name of 1-iodo-4-(methylperoxymethyl)benzene (CID 89130854) is 1-iodo-4-(methylperoxymethyl)benzene.
What is the SMILES notation for 1-iodo-4-(methylperoxymethyl)benzene?
The canonical SMILES for 1-iodo-4-(methylperoxymethyl)benzene is COOCc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(methylperoxymethyl)benzene?
The InChIKey is XSLAYQKWMKUBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-10-11-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-iodo-4-(methylperoxymethyl)benzene?
1-iodo-4-(methylperoxymethyl)benzene has a molecular weight of 264.06 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(methylperoxymethyl)benzene is sourced from PubChem (CID 89130854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).