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

C14H8BrCl3O — CID 107311568

IUPAC1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrCl3O/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6H,7H2
InChIKeyHBUNPRDXNFPAER-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.83
Rot. Bonds3

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

1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone (PubChem CID 107311568) has the molecular formula C14H8BrCl3O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
PubChem CID107311568
Molecular FormulaC14H8BrCl3O
Molecular Weight378.48 g/mol
Exact Mass375.88
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H8BrCl3O/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6H,7H2
InChIKeyHBUNPRDXNFPAER-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-phenylethanone
CID 81296102
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969808
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 81291362
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone (CID 107311568) is 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1Cl)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone?
The InChIKey is HBUNPRDXNFPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6H,7H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(2,3-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-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 107311568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).