benzylperoxymethylbenzene

C14H14O2 — CID 11229634

IUPACbenzylperoxymethylbenzene
SMILESc1ccc(COOCc2ccccc2)cc1
InChIInChI=1S/C14H14O2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyKQNZLOUWXSAZGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.34
Rot. Bonds5

About benzylperoxymethylbenzene

benzylperoxymethylbenzene (PubChem CID 11229634) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is benzylperoxymethylbenzene.

Molecular Properties

Compound Namebenzylperoxymethylbenzene
PubChem CID11229634
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namebenzylperoxymethylbenzene
SMILESc1ccc(COOCc2ccccc2)cc1
InChIInChI=1S/C14H14O2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyKQNZLOUWXSAZGD-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 benzylperoxymethylbenzene?
The IUPAC name of benzylperoxymethylbenzene (CID 11229634) is benzylperoxymethylbenzene.
What is the SMILES notation for benzylperoxymethylbenzene?
The canonical SMILES for benzylperoxymethylbenzene is c1ccc(COOCc2ccccc2)cc1.
What is the InChIKey of benzylperoxymethylbenzene?
The InChIKey is KQNZLOUWXSAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of benzylperoxymethylbenzene?
benzylperoxymethylbenzene has a molecular weight of 214.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylperoxymethylbenzene is sourced from PubChem (CID 11229634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).