1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone

C14H8Br2Cl2O — CID 114966304

IUPAC1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-8-4-5-11(16)9(6-8)14(19)7-10-12(17)2-1-3-13(10)18/h1-6H,7H2
InChIKeyPVFZGJFZBAQWLX-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.94
Rot. Bonds3

About 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone

1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 114966304) has the molecular formula C14H8Br2Cl2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID114966304
Molecular FormulaC14H8Br2Cl2O
Molecular Weight422.93 g/mol
Exact Mass419.83
IUPAC Name1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-8-4-5-11(16)9(6-8)14(19)7-10-12(17)2-1-3-13(10)18/h1-6H,7H2
InChIKeyPVFZGJFZBAQWLX-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

Analyze 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 114966279
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(2-bromo-3,4-difluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 107537915
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone (CID 114966304) is 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is PVFZGJFZBAQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O/c15-8-4-5-11(16)9(6-8)14(19)7-10-12(17)2-1-3-13(10)18/h1-6H,7H2.
What are the key properties of 1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(2,5-dibromophenyl)-2-(2,6-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-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 114966304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).