5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione

C20H13NO5 — CID 139827026

IUPAC5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
SMILESCOc1ccccc1-c1c2c(cc3cc4c(cc13)OCO4)C(=O)NC2=O
InChIInChI=1S/C20H13NO5/c1-24-14-5-3-2-4-11(14)17-12-8-16-15(25-9-26-16)7-10(12)6-13-18(17)20(23)21-19(13)22/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyFFAXDHSXWRABBX-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.13
Rot. Bonds2

About 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione

5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione (PubChem CID 139827026) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
PubChem CID139827026
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
SMILESCOc1ccccc1-c1c2c(cc3cc4c(cc13)OCO4)C(=O)NC2=O
InChIInChI=1S/C20H13NO5/c1-24-14-5-3-2-4-11(14)17-12-8-16-15(25-9-26-16)7-10(12)6-13-18(17)20(23)21-19(13)22/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyFFAXDHSXWRABBX-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-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-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione?
The IUPAC name of 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione (CID 139827026) is 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione.
What is the SMILES notation for 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione?
The canonical SMILES for 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione is COc1ccccc1-c1c2c(cc3cc4c(cc13)OCO4)C(=O)NC2=O.
What is the InChIKey of 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione?
The InChIKey is FFAXDHSXWRABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c1-24-14-5-3-2-4-11(14)17-12-8-16-15(25-9-26-16)7-10(12)6-13-18(17)20(23)21-19(13)22/h2-8H,9H2,1H3,(H,21,22,23).
What are the key properties of 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione?
5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione has a molecular weight of 347.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione is sourced from PubChem (CID 139827026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).