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

C18H12N2O6 — CID 2249224

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
InChIKeyCDKMESCTNMNHID-UHFFFAOYSA-N
MW352.30 g/mol
LogP1.44
Rot. Bonds5

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

2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione (PubChem CID 2249224) has the molecular formula C18H12N2O6 and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
PubChem CID2249224
Molecular FormulaC18H12N2O6
Molecular Weight352.30 g/mol
Exact Mass352.07
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
InChIKeyCDKMESCTNMNHID-UHFFFAOYSA-N
XLogP1.44
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione (CID 2249224) is 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
The InChIKey is CDKMESCTNMNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione?
2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione has a molecular weight of 352.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione is sourced from PubChem (CID 2249224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).