4-methoxybenzo[f]isoindole-1,3-dione

C13H9NO3 — CID 11775900

IUPAC4-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1c2c(cc3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H9NO3/c1-17-11-8-5-3-2-4-7(8)6-9-10(11)13(16)14-12(9)15/h2-6H,1H3,(H,14,15,16)
InChIKeyIPORUTVWLZCXRT-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.73
Rot. Bonds1

About 4-methoxybenzo[f]isoindole-1,3-dione

4-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 11775900) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name4-methoxybenzo[f]isoindole-1,3-dione
PubChem CID11775900
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name4-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1c2c(cc3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H9NO3/c1-17-11-8-5-3-2-4-7(8)6-9-10(11)13(16)14-12(9)15/h2-6H,1H3,(H,14,15,16)
InChIKeyIPORUTVWLZCXRT-UHFFFAOYSA-N
XLogP1.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 4-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 4-methoxybenzo[f]isoindole-1,3-dione (CID 11775900) is 4-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 4-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 4-methoxybenzo[f]isoindole-1,3-dione is COc1c2c(cc3ccccc13)C(=O)NC2=O.
What is the InChIKey of 4-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is IPORUTVWLZCXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-17-11-8-5-3-2-4-7(8)6-9-10(11)13(16)14-12(9)15/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4-methoxybenzo[f]isoindole-1,3-dione?
4-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 227.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 11775900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).