[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C18H17ClO6 — CID 7750520

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H17ClO6/c1-22-16-8-3-12(9-17(16)23-2)15(20)10-25-18(21)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyQOVJWKLJSIRNMP-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.16
Rot. Bonds8

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 7750520) has the molecular formula C18H17ClO6 and a molecular weight of 364.78 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID7750520
Molecular FormulaC18H17ClO6
Molecular Weight364.78 g/mol
Exact Mass364.07
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H17ClO6/c1-22-16-8-3-12(9-17(16)23-2)15(20)10-25-18(21)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyQOVJWKLJSIRNMP-UHFFFAOYSA-N
XLogP3.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 33340979
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2287210
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 16520238
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23735344
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 7750520) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is COc1ccc(C(=O)COC(=O)COc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is QOVJWKLJSIRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO6/c1-22-16-8-3-12(9-17(16)23-2)15(20)10-25-18(21)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 364.78 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 7750520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).