2-(2-methylperoxyphenyl)-1-benzofuran

C15H12O3 — CID 134976959

IUPAC2-(2-methylperoxyphenyl)-1-benzofuran
SMILESCOOc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H12O3/c1-16-18-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)17-15/h2-10H,1H3
InChIKeyAVSYKABDBJNIDW-UHFFFAOYSA-N
MW240.26 g/mol
LogP4.04
Rot. Bonds3

About 2-(2-methylperoxyphenyl)-1-benzofuran

2-(2-methylperoxyphenyl)-1-benzofuran (PubChem CID 134976959) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-methylperoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(2-methylperoxyphenyl)-1-benzofuran
PubChem CID134976959
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(2-methylperoxyphenyl)-1-benzofuran
SMILESCOOc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H12O3/c1-16-18-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)17-15/h2-10H,1H3
InChIKeyAVSYKABDBJNIDW-UHFFFAOYSA-N
XLogP4.04
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-methylperoxyphenyl)-1-benzofuran?
The IUPAC name of 2-(2-methylperoxyphenyl)-1-benzofuran (CID 134976959) is 2-(2-methylperoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-(2-methylperoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-(2-methylperoxyphenyl)-1-benzofuran is COOc1ccccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(2-methylperoxyphenyl)-1-benzofuran?
The InChIKey is AVSYKABDBJNIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-16-18-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)17-15/h2-10H,1H3.
What are the key properties of 2-(2-methylperoxyphenyl)-1-benzofuran?
2-(2-methylperoxyphenyl)-1-benzofuran has a molecular weight of 240.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylperoxyphenyl)-1-benzofuran is sourced from PubChem (CID 134976959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).