4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione

C19H12FNO3 — CID 19353389

IUPAC4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)C(=O)NC3=O
InChIInChI=1S/C19H12FNO3/c1-24-13-7-4-11-8-15-17(19(23)21-18(15)22)16(14(11)9-13)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,23)
InChIKeyVBPVJNXSFWFSAJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.54
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione

4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 19353389) has the molecular formula C19H12FNO3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione
PubChem CID19353389
Molecular FormulaC19H12FNO3
Molecular Weight321.31 g/mol
Exact Mass321.08
IUPAC Name4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)C(=O)NC3=O
InChIInChI=1S/C19H12FNO3/c1-24-13-7-4-11-8-15-17(19(23)21-18(15)22)16(14(11)9-13)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,23)
InChIKeyVBPVJNXSFWFSAJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione (CID 19353389) is 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione is COc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)C(=O)NC3=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is VBPVJNXSFWFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3/c1-24-13-7-4-11-8-15-17(19(23)21-18(15)22)16(14(11)9-13)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione?
4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 321.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 19353389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).