4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione

C13H14FNO3 — CID 158693313

IUPAC4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCc1c(O)cc2c(c1F)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C13H14FNO3/c1-6(2)5-15-12(17)8-4-9(16)7(3)11(14)10(8)13(15)18/h4,6,16H,5H2,1-3H3
InChIKeyYOKCASRTOISECK-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.09
Rot. Bonds2

About 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione

4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione (PubChem CID 158693313) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione
PubChem CID158693313
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione
SMILESCc1c(O)cc2c(c1F)C(=O)N(CC(C)C)C2=O
InChIInChI=1S/C13H14FNO3/c1-6(2)5-15-12(17)8-4-9(16)7(3)11(14)10(8)13(15)18/h4,6,16H,5H2,1-3H3
InChIKeyYOKCASRTOISECK-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 10702443
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466
2-[(4-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 16733532
2-[(3-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 24882340
2-[(3,4-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196924
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196925
2-[(2,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196926
2-(4-Fluoro-3-methylbenzyl)-4,5-dihydroxyisoindoline-1,3-dione
CID 25197038
2-(2,3-Difluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione
CID 25197040
2-(2,4-Difluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione
CID 25197041
4,5-Dihydroxy-2-[(2,3,4-trifluorophenyl)methyl]isoindoline-1,3-dione
CID 25197043

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione (CID 158693313) is 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione is Cc1c(O)cc2c(c1F)C(=O)N(CC(C)C)C2=O.
What is the InChIKey of 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione?
The InChIKey is YOKCASRTOISECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-6(2)5-15-12(17)8-4-9(16)7(3)11(14)10(8)13(15)18/h4,6,16H,5H2,1-3H3.
What are the key properties of 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione?
4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione has a molecular weight of 251.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-hydroxy-5-methyl-2-(2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 158693313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).