methylperoxybenzene

C7H8O2 — CID 22712917

IUPACmethylperoxybenzene
SMILESCOOc1ccccc1
InChIInChI=1S/C7H8O2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNLVRJWHXLBQZAU-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.63
Rot. Bonds2

About methylperoxybenzene

methylperoxybenzene (PubChem CID 22712917) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is methylperoxybenzene.

Molecular Properties

Compound Namemethylperoxybenzene
PubChem CID22712917
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namemethylperoxybenzene
SMILESCOOc1ccccc1
InChIInChI=1S/C7H8O2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNLVRJWHXLBQZAU-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 methylperoxybenzene?
The IUPAC name of methylperoxybenzene (CID 22712917) is methylperoxybenzene.
What is the SMILES notation for methylperoxybenzene?
The canonical SMILES for methylperoxybenzene is COOc1ccccc1.
What is the InChIKey of methylperoxybenzene?
The InChIKey is NLVRJWHXLBQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylperoxybenzene?
methylperoxybenzene has a molecular weight of 124.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxybenzene is sourced from PubChem (CID 22712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).