1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone

C14H8Br2Cl2O — CID 114967195

IUPAC1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(17)7-13(8)18/h1-4,6-7H,5H2
InChIKeyGKVDQXSMDMHBCG-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.94
Rot. Bonds3

About 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone

1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 114967195) has the molecular formula C14H8Br2Cl2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID114967195
Molecular FormulaC14H8Br2Cl2O
Molecular Weight422.93 g/mol
Exact Mass419.83
IUPAC Name1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(17)7-13(8)18/h1-4,6-7H,5H2
InChIKeyGKVDQXSMDMHBCG-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone (CID 114967195) is 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is GKVDQXSMDMHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O/c15-9-2-4-12(16)11(6-9)14(19)5-8-1-3-10(17)7-13(8)18/h1-4,6-7H,5H2.
What are the key properties of 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone?
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone has a molecular weight of 422.93 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 114967195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).