1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene

C18H20O3 — CID 123577095

IUPAC1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene
SMILESC=COOCCc1ccc(-c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-20-21-13-12-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-19-2/h3-11H,1,12-14H2,2H3
InChIKeyZFJIKVZVSBQAEW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds8

About 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene

1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene (PubChem CID 123577095) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene
PubChem CID123577095
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene
SMILESC=COOCCc1ccc(-c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-20-21-13-12-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-19-2/h3-11H,1,12-14H2,2H3
InChIKeyZFJIKVZVSBQAEW-UHFFFAOYSA-N
XLogP4.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene (CID 123577095) is 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene is C=COOCCc1ccc(-c2ccc(COC)cc2)cc1.
What is the InChIKey of 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene?
The InChIKey is ZFJIKVZVSBQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-20-21-13-12-15-4-8-17(9-5-15)18-10-6-16(7-11-18)14-19-2/h3-11H,1,12-14H2,2H3.
What are the key properties of 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene?
1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene has a molecular weight of 284.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 123577095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).