2-(4-phenoxyphenyl)isoindole-1,3-dione

C20H13NO3 — CID 765459

IUPAC2-(4-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H13NO3/c22-19-17-8-4-5-9-18(17)20(23)21(19)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H
InChIKeyATQNCYZXYKKCSS-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-phenoxyphenyl)isoindole-1,3-dione

2-(4-phenoxyphenyl)isoindole-1,3-dione (PubChem CID 765459) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)isoindole-1,3-dione
PubChem CID765459
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-(4-phenoxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H13NO3/c22-19-17-8-4-5-9-18(17)20(23)21(19)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H
InChIKeyATQNCYZXYKKCSS-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-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]isoindole-1,3-dione
CID 3644728
4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]benzonitrile
CID 765217
7,18-bis(4-phenoxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102222084
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
[4-(1,3-dioxo-5-phenoxyisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031820
5-[1-imino-3-oxo-2-(4-phenoxyphenyl)isoindol-5-yl]oxy-2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 123289566
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
6-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]-2-(4-phenoxyphenyl)-3H-isoquinoline-1,4-dione
CID 126711406
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583
2-[4-[3-[1,3-dioxo-4-(2-phenylethynyl)isoindol-2-yl]phenoxy]phenyl]-4-(2-phenylethynyl)isoindole-1,3-dione
CID 101052172
5-(1,3-dioxoisoindole-5-carbonyl)-2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 100990572

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-phenoxyphenyl)isoindole-1,3-dione (CID 765459) is 2-(4-phenoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-phenoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-phenoxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)isoindole-1,3-dione?
The InChIKey is ATQNCYZXYKKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19-17-8-4-5-9-18(17)20(23)21(19)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H.
What are the key properties of 2-(4-phenoxyphenyl)isoindole-1,3-dione?
2-(4-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-(4-phenoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).