5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione

C20H15NO4 — CID 155512494

IUPAC5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O
InChIInChI=1S/C20H15NO4/c1-24-17-9-5-6-12-10-14-15(11-13(12)17)20(23)21(19(14)22)16-7-3-4-8-18(16)25-2/h3-11H,1-2H3
InChIKeyHXBKWEOXLBPTJX-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.66
Rot. Bonds3

About 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione

5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione (PubChem CID 155512494) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione
PubChem CID155512494
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O
InChIInChI=1S/C20H15NO4/c1-24-17-9-5-6-12-10-14-15(11-13(12)17)20(23)21(19(14)22)16-7-3-4-8-18(16)25-2/h3-11H,1-2H3
InChIKeyHXBKWEOXLBPTJX-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.66
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 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione (CID 155512494) is 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione is COc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O.
What is the InChIKey of 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione?
The InChIKey is HXBKWEOXLBPTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-24-17-9-5-6-12-10-14-15(11-13(12)17)20(23)21(19(14)22)16-7-3-4-8-18(16)25-2/h3-11H,1-2H3.
What are the key properties of 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione?
5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione has a molecular weight of 333.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155512494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).