1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone

C15H11BrClFO — CID 107890805

IUPAC1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C15H11BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-13(17)14(18)7-10/h2-7H,8H2,1H3
InChIKeyUVKHRHDSAODGEH-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.98
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone

1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone (PubChem CID 107890805) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
PubChem CID107890805
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C15H11BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-13(17)14(18)7-10/h2-7H,8H2,1H3
InChIKeyUVKHRHDSAODGEH-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone (CID 107890805) is 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The InChIKey is UVKHRHDSAODGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-13(17)14(18)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone?
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone has a molecular weight of 341.61 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone is sourced from PubChem (CID 107890805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).