2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione

C22H20N2O6 — CID 5232489

IUPAC2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H20N2O6/c25-13(11-23-19(27)15-5-1-2-6-16(15)20(23)28)9-10-14(26)12-24-21(29)17-7-3-4-8-18(17)22(24)30/h1-8,13-14,25-26H,9-12H2
InChIKeyIBLQALNWMDNRJB-UHFFFAOYSA-N
MW408.41 g/mol
LogP1.08
Rot. Bonds7

About 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione

2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione (PubChem CID 5232489) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
PubChem CID5232489
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H20N2O6/c25-13(11-23-19(27)15-5-1-2-6-16(15)20(23)28)9-10-14(26)12-24-21(29)17-7-3-4-8-18(17)22(24)30/h1-8,13-14,25-26H,9-12H2
InChIKeyIBLQALNWMDNRJB-UHFFFAOYSA-N
XLogP1.08
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
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-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]isoindole-1,3-dione
CID 101088829
2-[3-(2-aminopropylsulfanyl)-2-hydroxypropyl]isoindole-1,3-dione
CID 131194485
2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione
CID 15944902

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione (CID 5232489) is 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)CCC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione?
The InChIKey is IBLQALNWMDNRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c25-13(11-23-19(27)15-5-1-2-6-16(15)20(23)28)9-10-14(26)12-24-21(29)17-7-3-4-8-18(17)22(24)30/h1-8,13-14,25-26H,9-12H2.
What are the key properties of 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione?
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione has a molecular weight of 408.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione is sourced from PubChem (CID 5232489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).