1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone

C11H13BrO3 — CID 82051142

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
SMILESCCOc1ccc(Br)cc1C(=O)COC
InChIInChI=1S/C11H13BrO3/c1-3-15-11-5-4-8(12)6-9(11)10(13)7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyJSZJGVYNJPTZSX-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone

1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone (PubChem CID 82051142) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
PubChem CID82051142
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
SMILESCCOc1ccc(Br)cc1C(=O)COC
InChIInChI=1S/C11H13BrO3/c1-3-15-11-5-4-8(12)6-9(11)10(13)7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyJSZJGVYNJPTZSX-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone 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-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051145
1-(5-bromo-2-ethoxyphenyl)-4-chlorobutan-1-one
CID 82051152
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CID 50889226
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
4-(5-bromo-2-ethoxyphenyl)-4-hydroxy-2-oxobut-3-enoic acid
CID 75313138
2-bromo-1-(4-bromo-2-ethoxyphenyl)ethanone
CID 22121450
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone (CID 82051142) is 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone is CCOc1ccc(Br)cc1C(=O)COC.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone?
The InChIKey is JSZJGVYNJPTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-15-11-5-4-8(12)6-9(11)10(13)7-14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone?
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone has a molecular weight of 273.13 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 82051142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).