[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate

C20H18Cl2O6 — CID 33340979

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C20H18Cl2O6/c1-26-18-7-3-12(9-19(18)27-2)16(23)6-8-20(25)28-11-17(24)14-5-4-13(21)10-15(14)22/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyOMUFXADYXGCCCO-UHFFFAOYSA-N
MW425.26 g/mol
LogP4.40
Rot. Bonds9

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (PubChem CID 33340979) has the molecular formula C20H18Cl2O6 and a molecular weight of 425.26 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
PubChem CID33340979
Molecular FormulaC20H18Cl2O6
Molecular Weight425.26 g/mol
Exact Mass424.05
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C20H18Cl2O6/c1-26-18-7-3-12(9-19(18)27-2)16(23)6-8-20(25)28-11-17(24)14-5-4-13(21)10-15(14)22/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyOMUFXADYXGCCCO-UHFFFAOYSA-N
XLogP4.40
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2287210
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133179
[2-(2,4-dichlorophenyl)-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9066844
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (CID 33340979) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate is COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate?
The InChIKey is OMUFXADYXGCCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2O6/c1-26-18-7-3-12(9-19(18)27-2)16(23)6-8-20(25)28-11-17(24)14-5-4-13(21)10-15(14)22/h3-5,7,9-10H,6,8,11H2,1-2H3.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate has a molecular weight of 425.26 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 33340979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).