1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone

C14H8BrCl3O — CID 107944354

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H8BrCl3O/c15-10-3-9(4-12(17)6-10)14(19)5-8-1-2-11(16)7-13(8)18/h1-4,6-7H,5H2
InChIKeyXFSONPGDWJXJGN-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.83
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone

1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 107944354) has the molecular formula C14H8BrCl3O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID107944354
Molecular FormulaC14H8BrCl3O
Molecular Weight378.48 g/mol
Exact Mass375.88
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H8BrCl3O/c15-10-3-9(4-12(17)6-10)14(19)5-8-1-2-11(16)7-13(8)18/h1-4,6-7H,5H2
InChIKeyXFSONPGDWJXJGN-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106871319
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
1-(3-bromo-5-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 107944369
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171
3-(3-bromo-5-chlorophenyl)-3-oxopropanenitrile
CID 98041795
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone (CID 107944354) is 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is XFSONPGDWJXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O/c15-10-3-9(4-12(17)6-10)14(19)5-8-1-2-11(16)7-13(8)18/h1-4,6-7H,5H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 107944354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).