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

C20H16N2O6 — CID 1076643

IUPAC2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO
InChIInChI=1S/C20H16N2O6/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)12-2-4-14-16(10-12)20(28)22(6-8-24)18(14)26/h1-4,9-10,23-24H,5-8H2
InChIKeyBSGDPNHSNFVIQI-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.53
Rot. Bonds5

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

2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 1076643) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID1076643
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCO)C4=O)cc2C(=O)N1CCO
InChIInChI=1S/C20H16N2O6/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)12-2-4-14-16(10-12)20(28)22(6-8-24)18(14)26/h1-4,9-10,23-24H,5-8H2
InChIKeyBSGDPNHSNFVIQI-UHFFFAOYSA-N
XLogP0.53
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 1076643) is 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is O=C1c2ccc(-c3ccc4c(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]isoindole-1,3-dione?
The InChIKey is BSGDPNHSNFVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-7-5-21-17(25)13-3-1-11(9-15(13)19(21)27)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]isoindole-1,3-dione?
2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 380.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 1076643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).