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

C28H16N2O5 — CID 22592753

IUPAC2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1Oc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H16N2O5/c31-25-17-9-1-2-10-18(17)26(32)29(25)21-13-5-7-15-23(21)35-24-16-8-6-14-22(24)30-27(33)19-11-3-4-12-20(19)28(30)34/h1-16H
InChIKeyHWSWCRFCIVAGBZ-UHFFFAOYSA-N
MW460.45 g/mol
LogP5.08
Rot. Bonds4

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

2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 22592753) has the molecular formula C28H16N2O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione
PubChem CID22592753
Molecular FormulaC28H16N2O5
Molecular Weight460.45 g/mol
Exact Mass460.11
IUPAC Name2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1Oc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H16N2O5/c31-25-17-9-1-2-10-18(17)26(32)29(25)21-13-5-7-15-23(21)35-24-16-8-6-14-22(24)30-27(33)19-11-3-4-12-20(19)28(30)34/h1-16H
InChIKeyHWSWCRFCIVAGBZ-UHFFFAOYSA-N
XLogP5.08
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione (CID 22592753) is 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1Oc1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is HWSWCRFCIVAGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O5/c31-25-17-9-1-2-10-18(17)26(32)29(25)21-13-5-7-15-23(21)35-24-16-8-6-14-22(24)30-27(33)19-11-3-4-12-20(19)28(30)34/h1-16H.
What are the key properties of 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione?
2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 460.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 22592753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).