2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione

C15H10FNO3 — CID 1475858

IUPAC2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccc(F)c1
InChIInChI=1S/C15H10FNO3/c16-11-5-3-4-10(8-11)9-20-17-14(18)12-6-1-2-7-13(12)15(17)19/h1-8H,9H2
InChIKeyOHJQMVAYLOZKBF-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.55
Rot. Bonds3

About 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione

2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione (PubChem CID 1475858) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
PubChem CID1475858
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccc(F)c1
InChIInChI=1S/C15H10FNO3/c16-11-5-3-4-10(8-11)9-20-17-14(18)12-6-1-2-7-13(12)15(17)19/h1-8H,9H2
InChIKeyOHJQMVAYLOZKBF-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-fluorophenyl)methoxy]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 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione (CID 1475858) is 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The InChIKey is OHJQMVAYLOZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-11-5-3-4-10(8-11)9-20-17-14(18)12-6-1-2-7-13(12)15(17)19/h1-8H,9H2.
What are the key properties of 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione has a molecular weight of 271.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 1475858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).