4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione

C14H8BrNO4 — CID 16655080

IUPAC4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2cc(O)cc(Br)c2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H8BrNO4/c15-11-6-9(18)5-10-12(11)14(20)16(13(10)19)7-1-3-8(17)4-2-7/h1-6,17-18H
InChIKeyHGXMNNAYYLSBJO-UHFFFAOYSA-N
MW334.13 g/mol
LogP2.66
Rot. Bonds1

About 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione

4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 16655080) has the molecular formula C14H8BrNO4 and a molecular weight of 334.13 g/mol. Its IUPAC name is 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione
PubChem CID16655080
Molecular FormulaC14H8BrNO4
Molecular Weight334.13 g/mol
Exact Mass332.96
IUPAC Name4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2cc(O)cc(Br)c2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H8BrNO4/c15-11-6-9(18)5-10-12(11)14(20)16(13(10)19)7-1-3-8(17)4-2-7/h1-6,17-18H
InChIKeyHGXMNNAYYLSBJO-UHFFFAOYSA-N
XLogP2.66
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-2-phenylisoindoline-1,3-dione
CID 10823890
5-Hydroxy-2-(4-hydroxyphenyl)isoindoline-1,3-dione
CID 19793985
5-Hydroxy-2-(4-hydroxy-2-methylphenyl)isoindoline-1,3-dione
CID 44430374
2-(2,6-Dibromophenyl)-5-hydroxyisoindole-1,3-dione
CID 16730265
2-(2-Fluoro-4-hydroxyphenyl)-5-hydroxyisoindoline-1,3-dione
CID 44430376
5-Hydroxy-2-(3-hydroxyphenyl)isoindoline-1,3-dione
CID 19793984
5-Bromo-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 687290
5-Hydroxy-2-(4-methoxyphenyl)isoindoline-1,3-dione
CID 44430357
4-Bromo-2-(4-hydroxyphenyl)-6-methoxyisoindoline-1,3-dione
CID 44430378
5-Hydroxy-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 44443648
2-(2-Tert-butylphenyl)-5-hydroxyisoindole-1,3-dione
CID 44443651
5-Hydroxy-2-(2-propylphenyl)isoindole-1,3-dione
CID 44443652

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione (CID 16655080) is 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione is O=C1c2cc(O)cc(Br)c2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is HGXMNNAYYLSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO4/c15-11-6-9(18)5-10-12(11)14(20)16(13(10)19)7-1-3-8(17)4-2-7/h1-6,17-18H.
What are the key properties of 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione?
4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 334.13 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 16655080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).