2-(2-hydroxyhexyl)isoindole-1,3-dione

C14H17NO3 — CID 67854445

IUPAC2-(2-hydroxyhexyl)isoindole-1,3-dione
SMILESCCCCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-2-3-6-10(16)9-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8,10,16H,2-3,6,9H2,1H3
InChIKeyQIHUYBQLNLFCBG-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-hydroxyhexyl)isoindole-1,3-dione

2-(2-hydroxyhexyl)isoindole-1,3-dione (PubChem CID 67854445) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2-hydroxyhexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyhexyl)isoindole-1,3-dione
PubChem CID67854445
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(2-hydroxyhexyl)isoindole-1,3-dione
SMILESCCCCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17NO3/c1-2-3-6-10(16)9-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8,10,16H,2-3,6,9H2,1H3
InChIKeyQIHUYBQLNLFCBG-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 2-(2-hydroxyhexyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
CID 122584996
tributyl-[(1,3-dioxoisoindol-2-yl)methyl]phosphanium bromide
CID 22165400
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786
2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
[(2R)-1-(1,3-dioxoisoindol-2-yl)octan-2-yl] acetate
CID 102589813
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-(1-fluoropentyl)isoindole-1,3-dione
CID 126495372
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyhexyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyhexyl)isoindole-1,3-dione (CID 67854445) is 2-(2-hydroxyhexyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyhexyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyhexyl)isoindole-1,3-dione is CCCCC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-hydroxyhexyl)isoindole-1,3-dione?
The InChIKey is QIHUYBQLNLFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-3-6-10(16)9-15-13(17)11-7-4-5-8-12(11)14(15)18/h4-5,7-8,10,16H,2-3,6,9H2,1H3.
What are the key properties of 2-(2-hydroxyhexyl)isoindole-1,3-dione?
2-(2-hydroxyhexyl)isoindole-1,3-dione has a molecular weight of 247.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyhexyl)isoindole-1,3-dione is sourced from PubChem (CID 67854445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).