2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione

C18H15NO3 — CID 21344505

IUPAC2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione
SMILESC=Cc1ccc(CON2C(=O)c3cccc(C)c3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-3-13-7-9-14(10-8-13)11-22-19-17(20)15-6-4-5-12(2)16(15)18(19)21/h3-10H,1,11H2,2H3
InChIKeyOKJGSEZOCNPIPJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.37
Rot. Bonds4

About 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione

2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione (PubChem CID 21344505) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione
PubChem CID21344505
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione
SMILESC=Cc1ccc(CON2C(=O)c3cccc(C)c3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-3-13-7-9-14(10-8-13)11-22-19-17(20)15-6-4-5-12(2)16(15)18(19)21/h3-10H,1,11H2,2H3
InChIKeyOKJGSEZOCNPIPJ-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione 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 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione?
The IUPAC name of 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione (CID 21344505) is 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione is C=Cc1ccc(CON2C(=O)c3cccc(C)c3C2=O)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione?
The InChIKey is OKJGSEZOCNPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-3-13-7-9-14(10-8-13)11-22-19-17(20)15-6-4-5-12(2)16(15)18(19)21/h3-10H,1,11H2,2H3.
What are the key properties of 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione?
2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione has a molecular weight of 293.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methoxy]-4-methylisoindole-1,3-dione is sourced from PubChem (CID 21344505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).