10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

C21H15NO6 — CID 5273785

IUPAC10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3=O)cc1OC
InChIInChI=1S/C21H15NO6/c1-25-13-5-3-11(8-15(13)26-2)16-17-10(4-6-14-19(17)28-9-27-14)7-12-18(16)21(24)22-20(12)23/h3-8H,9H2,1-2H3,(H,22,23,24)
InChIKeyPYUGWYMMPXGDSQ-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.14
Rot. Bonds3

About 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (PubChem CID 5273785) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
PubChem CID5273785
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3=O)cc1OC
InChIInChI=1S/C21H15NO6/c1-25-13-5-3-11(8-15(13)26-2)16-17-10(4-6-14-19(17)28-9-27-14)7-12-18(16)21(24)22-20(12)23/h3-8H,9H2,1-2H3,(H,22,23,24)
InChIKeyPYUGWYMMPXGDSQ-UHFFFAOYSA-N
XLogP3.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (CID 5273785) is 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3=O)cc1OC.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The InChIKey is PYUGWYMMPXGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO6/c1-25-13-5-3-11(8-15(13)26-2)16-17-10(4-6-14-19(17)28-9-27-14)7-12-18(16)21(24)22-20(12)23/h3-8H,9H2,1-2H3,(H,22,23,24).
What are the key properties of 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione has a molecular weight of 377.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is sourced from PubChem (CID 5273785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).