5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione

C20H15NO4 — CID 155542188

IUPAC5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)c1
InChIInChI=1S/C20H15NO4/c1-24-14-7-4-6-13(10-14)21-19(22)16-9-12-5-3-8-18(25-2)15(12)11-17(16)20(21)23/h3-11H,1-2H3
InChIKeyKVYBMAXMVYPBFT-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.66
Rot. Bonds3

About 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione

5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione (PubChem CID 155542188) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione
PubChem CID155542188
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)c1
InChIInChI=1S/C20H15NO4/c1-24-14-7-4-6-13(10-14)21-19(22)16-9-12-5-3-8-18(25-2)15(12)11-17(16)20(21)23/h3-11H,1-2H3
InChIKeyKVYBMAXMVYPBFT-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-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 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione (CID 155542188) is 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione is COc1cccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)c1.
What is the InChIKey of 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The InChIKey is KVYBMAXMVYPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-24-14-7-4-6-13(10-14)21-19(22)16-9-12-5-3-8-18(25-2)15(12)11-17(16)20(21)23/h3-11H,1-2H3.
What are the key properties of 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione?
5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione has a molecular weight of 333.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).