(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate

C17H14Cl2O4 — CID 2693177

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2O4/c1-10(20)11-6-7-15(22-2)12(8-11)9-23-17(21)13-4-3-5-14(18)16(13)19/h3-8H,9H2,1-2H3
InChIKeyJFYQRGLSFGMCJQ-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.56
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate

(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate (PubChem CID 2693177) has the molecular formula C17H14Cl2O4 and a molecular weight of 353.20 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
PubChem CID2693177
Molecular FormulaC17H14Cl2O4
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2O4/c1-10(20)11-6-7-15(22-2)12(8-11)9-23-17(21)13-4-3-5-14(18)16(13)19/h3-8H,9H2,1-2H3
InChIKeyJFYQRGLSFGMCJQ-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate 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

(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(5-acetyl-2-methoxyphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 8701894
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253721
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549
(5-acetyl-2-methoxyphenyl)methyl 1-methylindole-3-carboxylate
CID 46822526
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862373
(5-acetyl-2-methoxyphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2442739

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate (CID 2693177) is (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate is COc1ccc(C(C)=O)cc1COC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate?
The InChIKey is JFYQRGLSFGMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O4/c1-10(20)11-6-7-15(22-2)12(8-11)9-23-17(21)13-4-3-5-14(18)16(13)19/h3-8H,9H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate?
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate has a molecular weight of 353.20 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate is sourced from PubChem (CID 2693177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).