1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone

C15H11BrF2O3 — CID 78908137

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2c(F)cccc2F)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-14-6-5-9(7-10(14)16)13(19)8-21-15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3
InChIKeyJDKWBJFOLJPOAO-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.00
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone

1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone (PubChem CID 78908137) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
PubChem CID78908137
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2c(F)cccc2F)cc1Br
InChIInChI=1S/C15H11BrF2O3/c1-20-14-6-5-9(7-10(14)16)13(19)8-21-15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3
InChIKeyJDKWBJFOLJPOAO-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)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-(2,4-difluorophenoxy)ethanone
CID 43218884
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
CID 957478
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethoxy)ethanone
CID 43799010
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone (CID 78908137) is 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone is COc1ccc(C(=O)COc2c(F)cccc2F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone?
The InChIKey is JDKWBJFOLJPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-14-6-5-9(7-10(14)16)13(19)8-21-15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone has a molecular weight of 357.15 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone is sourced from PubChem (CID 78908137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).