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

C15H10BrNO3 — CID 3281444

IUPAC2-[(3-bromophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccc(Br)c1
InChIInChI=1S/C15H10BrNO3/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
InChIKeyZRUOEWAGSGDWAE-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.18
Rot. Bonds3

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

2-[(3-bromophenyl)methoxy]isoindole-1,3-dione (PubChem CID 3281444) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]isoindole-1,3-dione
PubChem CID3281444
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name2-[(3-bromophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccc(Br)c1
InChIInChI=1S/C15H10BrNO3/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
InChIKeyZRUOEWAGSGDWAE-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.18
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-[(3-bromophenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione (CID 3281444) is 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione?
The InChIKey is ZRUOEWAGSGDWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/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-bromophenyl)methoxy]isoindole-1,3-dione?
2-[(3-bromophenyl)methoxy]isoindole-1,3-dione has a molecular weight of 332.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 3281444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).