2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione

C17H15NO4 — CID 698855

IUPAC2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3ccc(C)cc3C2=O)cc1OC
InChIInChI=1S/C17H15NO4/c1-10-4-6-12-13(8-10)17(20)18(16(12)19)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3
InChIKeyVPTNAQIXJCWCLN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.81
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione

2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione (PubChem CID 698855) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione
PubChem CID698855
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3ccc(C)cc3C2=O)cc1OC
InChIInChI=1S/C17H15NO4/c1-10-4-6-12-13(8-10)17(20)18(16(12)19)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3
InChIKeyVPTNAQIXJCWCLN-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 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione (CID 698855) is 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione is COc1ccc(N2C(=O)c3ccc(C)cc3C2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione?
The InChIKey is VPTNAQIXJCWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-4-6-12-13(8-10)17(20)18(16(12)19)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione?
2-(3,4-dimethoxyphenyl)-5-methylisoindole-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 2-(3,4-dimethoxyphenyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 698855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).