2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one

C10H9Br2ClO — CID 81468478

IUPAC2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
SMILESCc1cc(Br)c(C(=O)C(C)Cl)cc1Br
InChIInChI=1S/C10H9Br2ClO/c1-5-3-9(12)7(4-8(5)11)10(14)6(2)13/h3-4,6H,1-2H3
InChIKeyDYCDMQNNUNBZNE-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.33
Rot. Bonds2

About 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one

2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one (PubChem CID 81468478) has the molecular formula C10H9Br2ClO and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
PubChem CID81468478
Molecular FormulaC10H9Br2ClO
Molecular Weight340.44 g/mol
Exact Mass337.87
IUPAC Name2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
SMILESCc1cc(Br)c(C(=O)C(C)Cl)cc1Br
InChIInChI=1S/C10H9Br2ClO/c1-5-3-9(12)7(4-8(5)11)10(14)6(2)13/h3-4,6H,1-2H3
InChIKeyDYCDMQNNUNBZNE-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one 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-(2,5-dibromo-4-methylphenyl)-2,3-dimethylbutan-1-one
CID 81474226
1-(2,5-dibromo-4-methylphenyl)-2-methylbutan-1-one
CID 81468688
1-(2,5-dibromo-4-methylphenyl)-2-methylsulfonylpropan-1-one
CID 104518231
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309437
2-chloro-1-(2,5-dibromophenyl)propan-1-one
CID 82050202
1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
1-(2,5-dibromo-4-methylphenyl)-2-ethylhexan-1-one
CID 81468373
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
1-(4-bromo-5-chloro-2-fluorophenyl)-2-chloropropan-1-one
CID 105398210
1-(4-bromo-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 104518165
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one (CID 81468478) is 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one is Cc1cc(Br)c(C(=O)C(C)Cl)cc1Br.
What is the InChIKey of 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one?
The InChIKey is DYCDMQNNUNBZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClO/c1-5-3-9(12)7(4-8(5)11)10(14)6(2)13/h3-4,6H,1-2H3.
What are the key properties of 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one?
2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one has a molecular weight of 340.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one is sourced from PubChem (CID 81468478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).