2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

C17H16BrClO — CID 115801958

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H16BrClO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3
InChIKeyLNMPXUUCWJUIHA-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 115801958) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID115801958
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H16BrClO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3
InChIKeyLNMPXUUCWJUIHA-UHFFFAOYSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)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-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
1-(4-bromo-2-chlorophenyl)-3-(3-methylphenyl)propan-2-one
CID 113471183
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
1-(4-bromo-2-chlorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 103446834
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113471210
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 115801958) is 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2ccc(Br)cc2Cl)c(C)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is LNMPXUUCWJUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-10-6-11(2)17(12(3)7-10)16(20)8-13-4-5-14(18)9-15(13)19/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 351.67 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 115801958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).