1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione

C24H27NO7 — CID 110581438

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(CCN2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)C2=O)cc1OCC
InChIInChI=1S/C24H27NO7/c1-5-31-18-9-7-15(13-20(18)32-6-2)11-12-25-23(27)21(22(26)24(25)28)16-8-10-17(29-3)19(14-16)30-4/h7-10,13-14,26H,5-6,11-12H2,1-4H3
InChIKeyFSJDGIBPTJZDOF-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.38
Rot. Bonds10

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110581438) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110581438
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCCOc1ccc(CCN2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)C2=O)cc1OCC
InChIInChI=1S/C24H27NO7/c1-5-31-18-9-7-15(13-20(18)32-6-2)11-12-25-23(27)21(22(26)24(25)28)16-8-10-17(29-3)19(14-16)30-4/h7-10,13-14,26H,5-6,11-12H2,1-4H3
InChIKeyFSJDGIBPTJZDOF-UHFFFAOYSA-N
XLogP3.38
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584311
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110581436
1-[2-(3,4-diethoxyphenyl)ethyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581569
3-(2,4-dichlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrole-2,5-dione
CID 110581702
3-chloro-1-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110581047
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
3-chloro-1-[2-(3,4-diethoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110583421
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136280
3-chloro-4-(3,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110583670
1-(4-butylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581499
2-[4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 27421330
(5E)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-sulfanylidene-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 19288138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione (CID 110581438) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione is CCOc1ccc(CCN2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)C2=O)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is FSJDGIBPTJZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-5-31-18-9-7-15(13-20(18)32-6-2)11-12-25-23(27)21(22(26)24(25)28)16-8-10-17(29-3)19(14-16)30-4/h7-10,13-14,26H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 441.48 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110581438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).