2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione

C23H24N2O6 — CID 21468228

IUPAC2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCO.O=C1c2ccccc2C(=O)N1CCCO
InChIInChI=1S/C12H13NO3.C11H11NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,5-6,14H,3-4,7-8H2;1-2,4-5,13H,3,6-7H2
InChIKeyTYXYYUMEQVRLBN-UHFFFAOYSA-N
MW424.45 g/mol
LogP1.72
Rot. Bonds7

About 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione

2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione (PubChem CID 21468228) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
PubChem CID21468228
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCO.O=C1c2ccccc2C(=O)N1CCCO
InChIInChI=1S/C12H13NO3.C11H11NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,5-6,14H,3-4,7-8H2;1-2,4-5,13H,3,6-7H2
InChIKeyTYXYYUMEQVRLBN-UHFFFAOYSA-N
XLogP1.72
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(5-hydroxypentyl)-3-methylideneisoindol-1-one
CID 107319609
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[2-(3-hydroxypropylsulfanyl)ethyl]isoindole-1,3-dione
CID 66115003
CID 88976080
CID 88976080
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
benzene-1,3,5-triol;2-(2-hydroxyethyl)isoindole-1,3-dione
CID 139145891

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione (CID 21468228) is 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCO.O=C1c2ccccc2C(=O)N1CCCO.
What is the InChIKey of 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione?
The InChIKey is TYXYYUMEQVRLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.C11H11NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,5-6,14H,3-4,7-8H2;1-2,4-5,13H,3,6-7H2.
What are the key properties of 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione?
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione has a molecular weight of 424.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 21468228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).