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

C14H8BrCl3O — CID 114967193

IUPAC1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrCl3O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2
InChIKeyVIKRPVSBHQQZBR-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.83
Rot. Bonds3

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

1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 114967193) has the molecular formula C14H8BrCl3O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID114967193
Molecular FormulaC14H8BrCl3O
Molecular Weight378.48 g/mol
Exact Mass375.88
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrCl3O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2
InChIKeyVIKRPVSBHQQZBR-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-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone (CID 114967193) is 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is VIKRPVSBHQQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone?
1-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 114967193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).