1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone

C17H17BrO3 — CID 957478

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2cccc(C)c2C)cc1Br
InChIInChI=1S/C17H17BrO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)13-7-8-17(20-3)14(18)9-13/h4-9H,10H2,1-3H3
InChIKeyMLHTYQFSZAPDHX-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.34
Rot. Bonds5

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

1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone (PubChem CID 957478) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
PubChem CID957478
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2cccc(C)c2C)cc1Br
InChIInChI=1S/C17H17BrO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)13-7-8-17(20-3)14(18)9-13/h4-9H,10H2,1-3H3
InChIKeyMLHTYQFSZAPDHX-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)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-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethoxy)ethanone
CID 43799010
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466435
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanone
CID 43612405
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 42983241

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone (CID 957478) is 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone is COc1ccc(C(=O)COc2cccc(C)c2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone?
The InChIKey is MLHTYQFSZAPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)13-7-8-17(20-3)14(18)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.34, 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-(2,3-dimethylphenoxy)ethanone is sourced from PubChem (CID 957478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).