1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione

C26H24N2O8 — CID 102065319

IUPAC1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(OCCOCCOCCOc2cccc(N3C(=O)C=CC3=O)c2)c1
InChIInChI=1S/C26H24N2O8/c29-23-7-8-24(30)27(23)19-3-1-5-21(17-19)35-15-13-33-11-12-34-14-16-36-22-6-2-4-20(18-22)28-25(31)9-10-26(28)32/h1-10,17-18H,11-16H2
InChIKeyQHPJVZUBZMZLDA-UHFFFAOYSA-N
MW492.48 g/mol
LogP2.04
Rot. Bonds13

About 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione

1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione (PubChem CID 102065319) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione
PubChem CID102065319
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Name1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc(OCCOCCOCCOc2cccc(N3C(=O)C=CC3=O)c2)c1
InChIInChI=1S/C26H24N2O8/c29-23-7-8-24(30)27(23)19-3-1-5-21(17-19)35-15-13-33-11-12-34-14-16-36-22-6-2-4-20(18-22)28-25(31)9-10-26(28)32/h1-10,17-18H,11-16H2
InChIKeyQHPJVZUBZMZLDA-UHFFFAOYSA-N
XLogP2.04
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione (CID 102065319) is 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc(OCCOCCOCCOc2cccc(N3C(=O)C=CC3=O)c2)c1.
What is the InChIKey of 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is QHPJVZUBZMZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O8/c29-23-7-8-24(30)27(23)19-3-1-5-21(17-19)35-15-13-33-11-12-34-14-16-36-22-6-2-4-20(18-22)28-25(31)9-10-26(28)32/h1-10,17-18H,11-16H2.
What are the key properties of 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione?
1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 492.48 g/mol, XLogP of 2.04, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 102065319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).