2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione

C34H20N2O8 — CID 17386922

IUPAC2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4cccc(O)c4)C5=O)c3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C34H20N2O8/c37-21-6-1-4-19(14-21)35-31(39)27-12-10-25(17-29(27)33(35)41)43-23-8-3-9-24(16-23)44-26-11-13-28-30(18-26)34(42)36(32(28)40)20-5-2-7-22(38)15-20/h1-18,37-38H
InChIKeyLFKKQFYCAAEJDO-UHFFFAOYSA-N
MW584.54 g/mol
LogP6.28
Rot. Bonds6

About 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione

2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (PubChem CID 17386922) has the molecular formula C34H20N2O8 and a molecular weight of 584.54 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
PubChem CID17386922
Molecular FormulaC34H20N2O8
Molecular Weight584.54 g/mol
Exact Mass584.12
IUPAC Name2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4cccc(O)c4)C5=O)c3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C34H20N2O8/c37-21-6-1-4-19(14-21)35-31(39)27-12-10-25(17-29(27)33(35)41)43-23-8-3-9-24(16-23)44-26-11-13-28-30(18-26)34(42)36(32(28)40)20-5-2-7-22(38)15-20/h1-18,37-38H
InChIKeyLFKKQFYCAAEJDO-UHFFFAOYSA-N
XLogP6.28
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.54
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione
CID 67886506
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione
CID 2230936
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
(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
5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
CID 761887
2-methyl-5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 20812377
5-(3-aminophenoxy)-2-naphthalen-2-ylisoindole-1,3-dione
CID 23739421
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
2-[3-(1-hydroxy-3-oxo-6-phenoxy-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 142393891
2-methyl-5-[2-[3-[3-[3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[3-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-[3-(3-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[3-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 159794050

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The IUPAC name of 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (CID 17386922) is 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4cccc(O)c4)C5=O)c3)cc2C(=O)N1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The InChIKey is LFKKQFYCAAEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O8/c37-21-6-1-4-19(14-21)35-31(39)27-12-10-25(17-29(27)33(35)41)43-23-8-3-9-24(16-23)44-26-11-13-28-30(18-26)34(42)36(32(28)40)20-5-2-7-22(38)15-20/h1-18,37-38H.
What are the key properties of 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione has a molecular weight of 584.54 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is sourced from PubChem (CID 17386922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).