3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one

C16H19Cl2NO4 — CID 139859748

IUPAC3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one
SMILESCCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)CC
InChIInChI=1S/C16H19Cl2NO4/c1-4-16(3)14(20)13(11-7-6-10(17)8-12(11)18)15(21)19(16)23-9-22-5-2/h6-8,20H,4-5,9H2,1-3H3
InChIKeyFPXZQQYORNJMMO-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.20
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one

3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one (PubChem CID 139859748) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one
PubChem CID139859748
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Name3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one
SMILESCCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)CC
InChIInChI=1S/C16H19Cl2NO4/c1-4-16(3)14(20)13(11-7-6-10(17)8-12(11)18)15(21)19(16)23-9-22-5-2/h6-8,20H,4-5,9H2,1-3H3
InChIKeyFPXZQQYORNJMMO-UHFFFAOYSA-N
XLogP4.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one (CID 139859748) is 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one is CCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)CC.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one?
The InChIKey is FPXZQQYORNJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-4-16(3)14(20)13(11-7-6-10(17)8-12(11)18)15(21)19(16)23-9-22-5-2/h6-8,20H,4-5,9H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one?
3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one has a molecular weight of 360.24 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-5-ethyl-4-hydroxy-5-methylpyrrol-2-one is sourced from PubChem (CID 139859748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).