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

C14H8Br2Cl2O — CID 115802017

IUPAC1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C14H8Br2Cl2O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7H,6H2
InChIKeyHHROLEFLQVBTOK-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.94
Rot. Bonds3

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

1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone (PubChem CID 115802017) has the molecular formula C14H8Br2Cl2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
PubChem CID115802017
Molecular FormulaC14H8Br2Cl2O
Molecular Weight422.93 g/mol
Exact Mass419.83
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C14H8Br2Cl2O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7H,6H2
InChIKeyHHROLEFLQVBTOK-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-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113471210
1-(3-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968423
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone (CID 115802017) is 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone is O=C(Cc1ccc(Br)cc1Cl)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone?
The InChIKey is HHROLEFLQVBTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7H,6H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone?
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)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-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone is sourced from PubChem (CID 115802017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).