2-(3-phenoxyphenyl)isoindole-1,3-dione

C20H13NO3 — CID 3091542

IUPAC2-(3-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H13NO3/c22-19-17-11-4-5-12-18(17)20(23)21(19)14-7-6-10-16(13-14)24-15-8-2-1-3-9-15/h1-13H
InChIKeyOJVRXCFUGGNQQM-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.28
Rot. Bonds3

About 2-(3-phenoxyphenyl)isoindole-1,3-dione

2-(3-phenoxyphenyl)isoindole-1,3-dione (PubChem CID 3091542) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)isoindole-1,3-dione
PubChem CID3091542
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-(3-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H13NO3/c22-19-17-11-4-5-12-18(17)20(23)21(19)14-7-6-10-16(13-14)24-15-8-2-1-3-9-15/h1-13H
InChIKeyOJVRXCFUGGNQQM-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
2-[3-(1-hydroxy-3-oxo-6-phenoxy-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 142393891
2-[4-[3-[1,3-dioxo-4-(2-phenylethynyl)isoindol-2-yl]phenoxy]phenyl]-4-(2-phenylethynyl)isoindole-1,3-dione
CID 101052172
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
CID 17169748
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
2-(3-methylphenyl)-5-[4-(2-phenylpropan-2-yl)phenoxy]isoindole-1,3-dione
CID 59031834
(1R,2S,6R,7S)-4-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7098765
4-[3-(5-benzoyl-1,3-dioxoisoindol-2-yl)phenoxy]benzonitrile
CID 126184333

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-phenoxyphenyl)isoindole-1,3-dione (CID 3091542) is 2-(3-phenoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-phenoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-phenoxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)isoindole-1,3-dione?
The InChIKey is OJVRXCFUGGNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19-17-11-4-5-12-18(17)20(23)21(19)14-7-6-10-16(13-14)24-15-8-2-1-3-9-15/h1-13H.
What are the key properties of 2-(3-phenoxyphenyl)isoindole-1,3-dione?
2-(3-phenoxyphenyl)isoindole-1,3-dione has a molecular weight of 315.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3091542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).