2-(4-methoxyphenoxy)isoindole-1,3-dione

C15H11NO4 — CID 101125866

IUPAC2-(4-methoxyphenoxy)isoindole-1,3-dione
SMILESCOc1ccc(ON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO4/c1-19-10-6-8-11(9-7-10)20-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyHOVOTIQERGDHMZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-methoxyphenoxy)isoindole-1,3-dione

2-(4-methoxyphenoxy)isoindole-1,3-dione (PubChem CID 101125866) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)isoindole-1,3-dione
PubChem CID101125866
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(4-methoxyphenoxy)isoindole-1,3-dione
SMILESCOc1ccc(ON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO4/c1-19-10-6-8-11(9-7-10)20-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyHOVOTIQERGDHMZ-UHFFFAOYSA-N
XLogP2.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.29
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-(4-methoxyphenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-methoxyphenoxy)isoindole-1,3-dione (CID 101125866) is 2-(4-methoxyphenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenoxy)isoindole-1,3-dione is COc1ccc(ON2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)isoindole-1,3-dione?
The InChIKey is HOVOTIQERGDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-10-6-8-11(9-7-10)20-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)isoindole-1,3-dione?
2-(4-methoxyphenoxy)isoindole-1,3-dione has a molecular weight of 269.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)isoindole-1,3-dione is sourced from PubChem (CID 101125866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).