2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C20H16N2O7 — CID 1160301

IUPAC2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO
InChIInChI=1S/C20H16N2O7/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)29-12-2-4-14-16(10-12)20(28)22(6-8-24)18(14)26/h1-4,9-10,23-24H,5-8H2
InChIKeyVVLFUCAJJOFCCV-UHFFFAOYSA-N
MW396.36 g/mol
LogP0.66
Rot. Bonds6

About 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 1160301) has the molecular formula C20H16N2O7 and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID1160301
Molecular FormulaC20H16N2O7
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Name2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO
InChIInChI=1S/C20H16N2O7/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)29-12-2-4-14-16(10-12)20(28)22(6-8-24)18(14)26/h1-4,9-10,23-24H,5-8H2
InChIKeyVVLFUCAJJOFCCV-UHFFFAOYSA-N
XLogP0.66
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 1160301) is 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is VVLFUCAJJOFCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O7/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)29-12-2-4-14-16(10-12)20(28)22(6-8-24)18(14)26/h1-4,9-10,23-24H,5-8H2.
What are the key properties of 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 396.36 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 1160301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).