2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone

C15H11Cl2FO3 — CID 83052620

IUPAC2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO3/c1-20-14-6-5-9(7-11(14)17)13(19)8-21-15-10(16)3-2-4-12(15)18/h2-7H,8H2,1H3
InChIKeyNYRCMZJVYJKDDX-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone

2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 83052620) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID83052620
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO3/c1-20-14-6-5-9(7-11(14)17)13(19)8-21-15-10(16)3-2-4-12(15)18/h2-7H,8H2,1H3
InChIKeyNYRCMZJVYJKDDX-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone 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

1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
CID 78908137
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823709
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone (CID 83052620) is 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)COc2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is NYRCMZJVYJKDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-20-14-6-5-9(7-11(14)17)13(19)8-21-15-10(16)3-2-4-12(15)18/h2-7H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 329.15 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 83052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).