3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one

C17H21Cl2NO4 — CID 139860095

IUPAC3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one
SMILESCCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)C(C)C
InChIInChI=1S/C17H21Cl2NO4/c1-5-23-9-24-20-16(22)14(15(21)17(20,4)10(2)3)12-7-6-11(18)8-13(12)19/h6-8,10,21H,5,9H2,1-4H3
InChIKeyDGKTXSFIBGRKLU-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.45
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one

3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one (PubChem CID 139860095) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one
PubChem CID139860095
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Name3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one
SMILESCCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)C(C)C
InChIInChI=1S/C17H21Cl2NO4/c1-5-23-9-24-20-16(22)14(15(21)17(20,4)10(2)3)12-7-6-11(18)8-13(12)19/h6-8,10,21H,5,9H2,1-4H3
InChIKeyDGKTXSFIBGRKLU-UHFFFAOYSA-N
XLogP4.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.45
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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Related Compounds

[4-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 2,6-dimethoxybenzoate
CID 139860006
[4-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 2-methylbenzoate
CID 139859676
[4-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 1-cyanocyclopropane-1-carboxylate
CID 139859744
5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
CID 67248673
3-(2,4-dichlorophenyl)-1-(3-ethoxypropyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110568563
3-(2,4-dichlorophenyl)-4-(2-hydroxyethylsulfanyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110568464
ethyl 4-[3-(2,4-dichlorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110581690
[4-(2,4-dichlorophenyl)-1-(methoxymethyl)-2,2-dimethyl-5-oxopyrrol-3-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 139859772
3-(2,4-dichlorophenyl)-4-ethylsulfanyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110568298
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
3-(2,4-dichlorophenyl)-4-[4-(diethylamino)anilino]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598890
3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
CID 171483099

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one (CID 139860095) is 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one is CCOCON1C(=O)C(c2ccc(Cl)cc2Cl)=C(O)C1(C)C(C)C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one?
The InChIKey is DGKTXSFIBGRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c1-5-23-9-24-20-16(22)14(15(21)17(20,4)10(2)3)12-7-6-11(18)8-13(12)19/h6-8,10,21H,5,9H2,1-4H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one?
3-(2,4-dichlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one has a molecular weight of 374.26 g/mol, XLogP of 4.45, 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)-4-hydroxy-5-methyl-5-propan-2-ylpyrrol-2-one is sourced from PubChem (CID 139860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).