5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

C16H8N2O5 — CID 3089909

IUPAC5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Oc3ccc4c(c3)C(=O)NC4=O)ccc21
InChIInChI=1S/C16H8N2O5/c19-13-9-3-1-7(5-11(9)15(21)17-13)23-8-2-4-10-12(6-8)16(22)18-14(10)20/h1-6H,(H,17,19,21)(H,18,20,22)
InChIKeyKYUQOJXNTSCEKL-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.25
Rot. Bonds2

About 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione

5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (PubChem CID 3089909) has the molecular formula C16H8N2O5 and a molecular weight of 308.25 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
PubChem CID3089909
Molecular FormulaC16H8N2O5
Molecular Weight308.25 g/mol
Exact Mass308.04
IUPAC Name5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Oc3ccc4c(c3)C(=O)NC4=O)ccc21
InChIInChI=1S/C16H8N2O5/c19-13-9-3-1-7(5-11(9)15(21)17-13)23-8-2-4-10-12(6-8)16(22)18-14(10)20/h1-6H,(H,17,19,21)(H,18,20,22)
InChIKeyKYUQOJXNTSCEKL-UHFFFAOYSA-N
XLogP1.25
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5'-((1-Methylethylidene)bis(4,1-phenyleneoxy))bis(2-methyl-1H-isoindole-1,3(2H)-dione)
CID 108586
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
5-(4-Nitrophenoxy)-1H-isoindole-1,3(2H)-dione
CID 867501
4-Phenoxyphthalimide
CID 834420
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide
CID 893435
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
CID 977863
4,4'-Oxybis(N-(2-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)ethyl)benzamide)
CID 1339741
[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
CID 753410
5-(4-Aminophenoxy)isoindoline-1,3-dione
CID 882627
5-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 22064719

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione (CID 3089909) is 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is O=C1NC(=O)c2cc(Oc3ccc4c(c3)C(=O)NC4=O)ccc21.
What is the InChIKey of 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
The InChIKey is KYUQOJXNTSCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O5/c19-13-9-3-1-7(5-11(9)15(21)17-13)23-8-2-4-10-12(6-8)16(22)18-14(10)20/h1-6H,(H,17,19,21)(H,18,20,22).
What are the key properties of 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione?
5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione has a molecular weight of 308.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione is sourced from PubChem (CID 3089909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).