2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione

C20H15NO3 — CID 155511597

IUPAC2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1)C3=O
InChIInChI=1S/C20H15NO3/c1-24-18-9-5-8-14-10-16-17(11-15(14)18)20(23)21(19(16)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyLXZHQBFFYAUHLX-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.64
Rot. Bonds3

About 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione

2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 155511597) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione
PubChem CID155511597
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1)C3=O
InChIInChI=1S/C20H15NO3/c1-24-18-9-5-8-14-10-16-17(11-15(14)18)20(23)21(19(16)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyLXZHQBFFYAUHLX-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.64
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-benzyl-5-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione (CID 155511597) is 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione is COc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1)C3=O.
What is the InChIKey of 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is LXZHQBFFYAUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-24-18-9-5-8-14-10-16-17(11-15(14)18)20(23)21(19(16)22)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione?
2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 317.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155511597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).