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

C30H20N2O8 — CID 2259703

IUPAC2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(OCCOc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C30H20N2O8/c33-19-5-1-17(2-6-19)31-27(35)23-11-9-21(15-25(23)29(31)37)39-13-14-40-22-10-12-24-26(16-22)30(38)32(28(24)36)18-3-7-20(34)8-4-18/h1-12,15-16,33-34H,13-14H2
InChIKeyVZFICAZJRCLQII-UHFFFAOYSA-N
MW536.50 g/mol
LogP4.16
Rot. Bonds7

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

2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione (PubChem CID 2259703) has the molecular formula C30H20N2O8 and a molecular weight of 536.50 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione
PubChem CID2259703
Molecular FormulaC30H20N2O8
Molecular Weight536.50 g/mol
Exact Mass536.12
IUPAC Name2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione
SMILESO=C1c2ccc(OCCOc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C30H20N2O8/c33-19-5-1-17(2-6-19)31-27(35)23-11-9-21(15-25(23)29(31)37)39-13-14-40-22-10-12-24-26(16-22)30(38)32(28(24)36)18-3-7-20(34)8-4-18/h1-12,15-16,33-34H,13-14H2
InChIKeyVZFICAZJRCLQII-UHFFFAOYSA-N
XLogP4.16
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
6,13-bis(4-hydroxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1102901
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 691521
2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione
CID 176514543
2-(4-octoxyphenyl)-5-[2-(4-octoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 101452909
2-(4-hexoxyphenyl)-5-[2-(4-hexoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 102095160
2-(4-acetylphenyl)-5-[2-(4-acetylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 1365085
2-[4-(dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
2-[3,5-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)isoindole-1,3-dione
CID 139773404

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione (CID 2259703) is 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione is O=C1c2ccc(OCCOc3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione?
The InChIKey is VZFICAZJRCLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O8/c33-19-5-1-17(2-6-19)31-27(35)23-11-9-21(15-25(23)29(31)37)39-13-14-40-22-10-12-24-26(16-22)30(38)32(28(24)36)18-3-7-20(34)8-4-18/h1-12,15-16,33-34H,13-14H2.
What are the key properties of 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione?
2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione has a molecular weight of 536.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-[2-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]isoindole-1,3-dione is sourced from PubChem (CID 2259703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).