2-(3-methoxyphenyl)isoindole-1,3-dione

C15H11NO3 — CID 721999

IUPAC2-(3-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H11NO3/c1-19-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3
InChIKeyUTDBCWSLBSPUPK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.50
Rot. Bonds2

About 2-(3-methoxyphenyl)isoindole-1,3-dione

2-(3-methoxyphenyl)isoindole-1,3-dione (PubChem CID 721999) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)isoindole-1,3-dione
PubChem CID721999
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(3-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H11NO3/c1-19-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3
InChIKeyUTDBCWSLBSPUPK-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methoxyphenyl)isoindole-1,3-dione (CID 721999) is 2-(3-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methoxyphenyl)isoindole-1,3-dione is COc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is UTDBCWSLBSPUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3.
What are the key properties of 2-(3-methoxyphenyl)isoindole-1,3-dione?
2-(3-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 253.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 721999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).