1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone

C10H10BrClO2 — CID 171004926

IUPAC1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
SMILESCOc1ccc(C)c(C(=O)CCl)c1Br
InChIInChI=1S/C10H10BrClO2/c1-6-3-4-8(14-2)10(11)9(6)7(13)5-12/h3-4H,5H2,1-2H3
InChIKeyZMOOFWSSMLMFMW-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone

1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone (PubChem CID 171004926) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
PubChem CID171004926
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
SMILESCOc1ccc(C)c(C(=O)CCl)c1Br
InChIInChI=1S/C10H10BrClO2/c1-6-3-4-8(14-2)10(11)9(6)7(13)5-12/h3-4H,5H2,1-2H3
InChIKeyZMOOFWSSMLMFMW-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone 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-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)-2-oxoacetate
CID 117484704
1-(3-bromo-6-methoxy-2-propan-2-ylphenyl)-2-chloroethanone
CID 144564976
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
2-chloro-1-[2-chloro-3-methoxy-6-(trifluoromethyl)phenyl]ethanone
CID 171030166
2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
CID 171011799
1-(4-bromo-3-hydroxy-5-methoxyphenyl)-2-chloroethanone
CID 171006836

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone?
The IUPAC name of 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone (CID 171004926) is 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone?
The canonical SMILES for 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone is COc1ccc(C)c(C(=O)CCl)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone?
The InChIKey is ZMOOFWSSMLMFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6-3-4-8(14-2)10(11)9(6)7(13)5-12/h3-4H,5H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone?
1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone has a molecular weight of 277.55 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone is sourced from PubChem (CID 171004926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).