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

C34H20N2O8 — CID 3108267

IUPAC2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccc4O)C5=O)c3)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C34H20N2O8/c37-29-10-3-1-8-27(29)35-31(39)23-14-12-21(17-25(23)33(35)41)43-19-6-5-7-20(16-19)44-22-13-15-24-26(18-22)34(42)36(32(24)40)28-9-2-4-11-30(28)38/h1-18,37-38H
InChIKeyLGMSPBGYPMEXRT-UHFFFAOYSA-N
MW584.54 g/mol
LogP6.28
Rot. Bonds6

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

2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (PubChem CID 3108267) has the molecular formula C34H20N2O8 and a molecular weight of 584.54 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
PubChem CID3108267
Molecular FormulaC34H20N2O8
Molecular Weight584.54 g/mol
Exact Mass584.12
IUPAC Name2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccc4O)C5=O)c3)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C34H20N2O8/c37-29-10-3-1-8-27(29)35-31(39)23-14-12-21(17-25(23)33(35)41)43-19-6-5-7-20(16-19)44-22-13-15-24-26(18-22)34(42)36(32(24)40)28-9-2-4-11-30(28)38/h1-18,37-38H
InChIKeyLGMSPBGYPMEXRT-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione (CID 3108267) is 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccc4O)C5=O)c3)cc2C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
The InChIKey is LGMSPBGYPMEXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O8/c37-29-10-3-1-8-27(29)35-31(39)23-14-12-21(17-25(23)33(35)41)43-19-6-5-7-20(16-19)44-22-13-15-24-26(18-22)34(42)36(32(24)40)28-9-2-4-11-30(28)38/h1-18,37-38H.
What are the key properties of 2-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione?
2-(2-hydroxyphenyl)-5-[3-[2-(2-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-(2-hydroxyphenyl)-5-[3-[2-(2-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione is sourced from PubChem (CID 3108267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).