2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C28H16N2O7 — CID 11785175

IUPAC2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C28H16N2O7/c31-17-5-1-15(2-6-17)29-25(33)21-11-9-19(13-23(21)27(29)35)37-20-10-12-22-24(14-20)28(36)30(26(22)34)16-3-7-18(32)8-4-16/h1-14,31-32H
InChIKeyUAELTPGLYWDJFC-UHFFFAOYSA-N
MW492.44 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 11785175) has the molecular formula C28H16N2O7 and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID11785175
Molecular FormulaC28H16N2O7
Molecular Weight492.44 g/mol
Exact Mass492.10
IUPAC Name2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C28H16N2O7/c31-17-5-1-15(2-6-17)29-25(33)21-11-9-19(13-23(21)27(29)35)37-20-10-12-22-24(14-20)28(36)30(26(22)34)16-3-7-18(32)8-4-16/h1-14,31-32H
InChIKeyUAELTPGLYWDJFC-UHFFFAOYSA-N
XLogP4.49
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione with MolForge

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Related Compounds

2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
2-(4-Aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25271539
2-[4-(Dimethylamino)phenyl]-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 44588865
5-Hydroxy-2-phenylisoindoline-1,3-dione
CID 10823890
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
CID 977863
2-[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenoxyisoindole-1,3-dione
CID 17989329
5-Hydroxy-2-(4-hydroxyphenyl)isoindoline-1,3-dione
CID 19793985
5-Hydroxy-2-(4-hydroxy-2-methylphenyl)isoindoline-1,3-dione
CID 44430374
6-[4-[2-(Dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
5-(4-Aminophenoxy)isoindoline-1,3-dione
CID 882627

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 11785175) is 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is UAELTPGLYWDJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O7/c31-17-5-1-15(2-6-17)29-25(33)21-11-9-19(13-23(21)27(29)35)37-20-10-12-22-24(14-20)28(36)30(26(22)34)16-3-7-18(32)8-4-16/h1-14,31-32H.
What are the key properties of 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 492.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 11785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).