5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione

C15H10BrNO3 — CID 757810

IUPAC5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)c(O)c1
InChIInChI=1S/C15H10BrNO3/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15(17)20/h2-7,18H,1H3
InChIKeyADEJOJVJBCTBBS-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.26
Rot. Bonds1

About 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione

5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione (PubChem CID 757810) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione
PubChem CID757810
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)c(O)c1
InChIInChI=1S/C15H10BrNO3/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15(17)20/h2-7,18H,1H3
InChIKeyADEJOJVJBCTBBS-UHFFFAOYSA-N
XLogP3.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione (CID 757810) is 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)c(O)c1.
What is the InChIKey of 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione?
The InChIKey is ADEJOJVJBCTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-2-5-12(13(18)6-8)17-14(19)10-4-3-9(16)7-11(10)15(17)20/h2-7,18H,1H3.
What are the key properties of 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione?
5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione has a molecular weight of 332.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-hydroxy-4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 757810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).