3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione

C21H21NO6 — CID 110583305

IUPAC3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(CCOc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-3-27-16-6-4-14(5-7-16)18-19(23)21(25)22(20(18)24)12-13-28-17-10-8-15(26-2)9-11-17/h4-11,23H,3,12-13H2,1-2H3
InChIKeyHQOJQZJKTOAUEI-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.81
Rot. Bonds8

About 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione (PubChem CID 110583305) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione
PubChem CID110583305
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(O)C(=O)N(CCOc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C21H21NO6/c1-3-27-16-6-4-14(5-7-16)18-19(23)21(25)22(20(18)24)12-13-28-17-10-8-15(26-2)9-11-17/h4-11,23H,3,12-13H2,1-2H3
InChIKeyHQOJQZJKTOAUEI-UHFFFAOYSA-N
XLogP2.81
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582405
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110583432
3-(2-hydroxyethylsulfanyl)-1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572520
2,5-bis[2-(2-ethoxyethoxy)ethyl]-1,4-bis(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 11093076
3-hydroxy-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582399
3-chloro-1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110581087
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584463
1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110559508
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110581436
3-[2-hydroxyethyl(methyl)amino]-1-[2-(4-methoxyphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110559500
3-hydroxy-4-[4-(2-methylpropoxy)phenyl]-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110584735

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione (CID 110583305) is 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione is CCOc1ccc(C2=C(O)C(=O)N(CCOc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is HQOJQZJKTOAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-3-27-16-6-4-14(5-7-16)18-19(23)21(25)22(20(18)24)12-13-28-17-10-8-15(26-2)9-11-17/h4-11,23H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 110583305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).