2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone

C10H9BrCl2O2 — CID 116863865

IUPAC2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)C(Cl)Br
InChIInChI=1S/C10H9BrCl2O2/c1-5-3-8(15-2)6(4-7(5)12)9(14)10(11)13/h3-4,10H,1-2H3
InChIKeyDZRWRBWJYJHTPJ-UHFFFAOYSA-N
MW311.99 g/mol
LogP3.80
Rot. Bonds3

About 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone

2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone (PubChem CID 116863865) has the molecular formula C10H9BrCl2O2 and a molecular weight of 311.99 g/mol. Its IUPAC name is 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
PubChem CID116863865
Molecular FormulaC10H9BrCl2O2
Molecular Weight311.99 g/mol
Exact Mass309.92
IUPAC Name2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)C(Cl)Br
InChIInChI=1S/C10H9BrCl2O2/c1-5-3-8(15-2)6(4-7(5)12)9(14)10(11)13/h3-4,10H,1-2H3
InChIKeyDZRWRBWJYJHTPJ-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.99
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)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

2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
2-bromo-3-chloro-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82124813
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
5-chloro-2-methoxy-N,4-dimethylbenzenecarbothioamide
CID 116827682
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
1-(5-chloro-2-methoxy-4-methylphenyl)-3-(3,4-dimethylphenyl)propane-1,3-dione
CID 134867861
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone (CID 116863865) is 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone is COc1cc(C)c(Cl)cc1C(=O)C(Cl)Br.
What is the InChIKey of 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone?
The InChIKey is DZRWRBWJYJHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2O2/c1-5-3-8(15-2)6(4-7(5)12)9(14)10(11)13/h3-4,10H,1-2H3.
What are the key properties of 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone?
2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone has a molecular weight of 311.99 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 116863865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).