3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione

C24H19NO5 — CID 163112984

IUPAC3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccc(O)cc2)C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H19NO5/c26-18-7-1-15(2-8-18)13-14-25-23(29)21(16-3-9-19(27)10-4-16)22(24(25)30)17-5-11-20(28)12-6-17/h1-12,26-28H,13-14H2
InChIKeyREWIMHIVGDGBBY-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.33
Rot. Bonds5

About 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione

3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione (PubChem CID 163112984) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
PubChem CID163112984
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccc(O)cc2)C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C24H19NO5/c26-18-7-1-15(2-8-18)13-14-25-23(29)21(16-3-9-19(27)10-4-16)22(24(25)30)17-5-11-20(28)12-6-17/h1-12,26-28H,13-14H2
InChIKeyREWIMHIVGDGBBY-UHFFFAOYSA-N
XLogP3.33
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 63266809
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one
CID 135404841
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 19363369
4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110582922
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110585947
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110569152
3-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110543193

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione (CID 163112984) is 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione is O=C1C(c2ccc(O)cc2)=C(c2ccc(O)cc2)C(=O)N1CCc1ccc(O)cc1.
What is the InChIKey of 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione?
The InChIKey is REWIMHIVGDGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c26-18-7-1-15(2-8-18)13-14-25-23(29)21(16-3-9-19(27)10-4-16)22(24(25)30)17-5-11-20(28)12-6-17/h1-12,26-28H,13-14H2.
What are the key properties of 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione?
3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione has a molecular weight of 401.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 163112984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).