2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione

C14H17NO3 — CID 59102632

IUPAC2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
SMILESCC(C)(O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-13(2,14(3,4)18)15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8,18H,1-4H3
InChIKeyARUMCVBDNCGSDO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione

2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione (PubChem CID 59102632) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
PubChem CID59102632
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
SMILESCC(C)(O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-13(2,14(3,4)18)15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8,18H,1-4H3
InChIKeyARUMCVBDNCGSDO-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
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-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
2-hydroxyisoindole-1,3-dione
CID 66775726
[3-(1,3-dioxoisoindol-2-yl)-2,3-dimethylbutan-2-yl] piperidine-1-sulfinate
CID 59102616
2-tert-butyl-3-methoxyiminoisoindol-1-one
CID 141422042

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione (CID 59102632) is 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione is CC(C)(O)C(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione?
The InChIKey is ARUMCVBDNCGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-13(2,14(3,4)18)15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8,18H,1-4H3.
What are the key properties of 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione?
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione has a molecular weight of 247.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 59102632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).