4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene

C24H22O2 — CID 87066525

IUPAC4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene
SMILESC=Cc1ccc(-c2ccc(C(OO)c3ccc(C=C)cc3C)cc2)cc1
InChIInChI=1S/C24H22O2/c1-4-18-6-9-20(10-7-18)21-11-13-22(14-12-21)24(26-25)23-15-8-19(5-2)16-17(23)3/h4-16,24-25H,1-2H2,3H3
InChIKeyHHVSJNNFFCSWBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.53
Rot. Bonds6

About 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene

4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene (PubChem CID 87066525) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene.

Molecular Properties

Compound Name4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene
PubChem CID87066525
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene
SMILESC=Cc1ccc(-c2ccc(C(OO)c3ccc(C=C)cc3C)cc2)cc1
InChIInChI=1S/C24H22O2/c1-4-18-6-9-20(10-7-18)21-11-13-22(14-12-21)24(26-25)23-15-8-19(5-2)16-17(23)3/h4-16,24-25H,1-2H2,3H3
InChIKeyHHVSJNNFFCSWBL-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene 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 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene?
The IUPAC name of 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene (CID 87066525) is 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene.
What is the SMILES notation for 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene?
The canonical SMILES for 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene is C=Cc1ccc(-c2ccc(C(OO)c3ccc(C=C)cc3C)cc2)cc1.
What is the InChIKey of 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene?
The InChIKey is HHVSJNNFFCSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-4-18-6-9-20(10-7-18)21-11-13-22(14-12-21)24(26-25)23-15-8-19(5-2)16-17(23)3/h4-16,24-25H,1-2H2,3H3.
What are the key properties of 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene?
4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene has a molecular weight of 342.44 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[4-(4-ethenylphenyl)phenyl]-hydroperoxymethyl]-2-methylbenzene is sourced from PubChem (CID 87066525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).