1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone

C10H10BrClO2 — CID 115782953

IUPAC1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO2/c1-2-14-6-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6H2,1H3
InChIKeyXVDHXSIHWBUAKT-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone

1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone (PubChem CID 115782953) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
PubChem CID115782953
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO2/c1-2-14-6-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6H2,1H3
InChIKeyXVDHXSIHWBUAKT-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone 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-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
CID 115565944
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
methyl 6-(4-bromo-2-chlorophenyl)-6-oxohexanoate
CID 146010872
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-ethoxyethanone
CID 58324308
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489285
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
CID 82779483
ethyl 2-(4-bromo-2-chlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 67387329

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone (CID 115782953) is 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone is CCOCC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone?
The InChIKey is XVDHXSIHWBUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-2-14-6-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone?
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone has a molecular weight of 277.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone is sourced from PubChem (CID 115782953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).