4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione

C17H15NO4 — CID 832150

IUPAC4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C17H15NO4/c1-10-6-4-5-7-12(10)18-16(19)11-8-9-13(21-2)15(22-3)14(11)17(18)20/h4-9H,1-3H3
InChIKeyUPIXXQHRYWPLAG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.81
Rot. Bonds3

About 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione

4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione (PubChem CID 832150) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
PubChem CID832150
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C17H15NO4/c1-10-6-4-5-7-12(10)18-16(19)11-8-9-13(21-2)15(22-3)14(11)17(18)20/h4-9H,1-3H3
InChIKeyUPIXXQHRYWPLAG-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione (CID 832150) is 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione is COc1ccc2c(c1OC)C(=O)N(c1ccccc1C)C2=O.
What is the InChIKey of 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione?
The InChIKey is UPIXXQHRYWPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-6-4-5-7-12(10)18-16(19)11-8-9-13(21-2)15(22-3)14(11)17(18)20/h4-9H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione?
4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione has a molecular weight of 297.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 832150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).