4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione

C15H10BrNO3 — CID 2836357

IUPAC4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C15H10BrNO3/c1-20-12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(16)13(9)15(17)19/h2-8H,1H3
InChIKeyNGROZWJUVNGQBS-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.26
Rot. Bonds2

About 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione

4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione (PubChem CID 2836357) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
PubChem CID2836357
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C15H10BrNO3/c1-20-12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(16)13(9)15(17)19/h2-8H,1H3
InChIKeyNGROZWJUVNGQBS-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.26
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 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione (CID 2836357) is 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione is COc1ccccc1N1C(=O)c2cccc(Br)c2C1=O.
What is the InChIKey of 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is NGROZWJUVNGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-20-12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(16)13(9)15(17)19/h2-8H,1H3.
What are the key properties of 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione?
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 332.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 2836357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).