1-(2-acetyl-3,5-dibromophenyl)ethanone

C10H8Br2O2 — CID 15089985

IUPAC1-(2-acetyl-3,5-dibromophenyl)ethanone
SMILESCC(=O)c1cc(Br)cc(Br)c1C(C)=O
InChIInChI=1S/C10H8Br2O2/c1-5(13)8-3-7(11)4-9(12)10(8)6(2)14/h3-4H,1-2H3
InChIKeyBJGCTQPBQFHGDW-UHFFFAOYSA-N
MW319.98 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-acetyl-3,5-dibromophenyl)ethanone

1-(2-acetyl-3,5-dibromophenyl)ethanone (PubChem CID 15089985) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is 1-(2-acetyl-3,5-dibromophenyl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-3,5-dibromophenyl)ethanone
PubChem CID15089985
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name1-(2-acetyl-3,5-dibromophenyl)ethanone
SMILESCC(=O)c1cc(Br)cc(Br)c1C(C)=O
InChIInChI=1S/C10H8Br2O2/c1-5(13)8-3-7(11)4-9(12)10(8)6(2)14/h3-4H,1-2H3
InChIKeyBJGCTQPBQFHGDW-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3,5-dibromophenyl)ethanone?
The IUPAC name of 1-(2-acetyl-3,5-dibromophenyl)ethanone (CID 15089985) is 1-(2-acetyl-3,5-dibromophenyl)ethanone.
What is the SMILES notation for 1-(2-acetyl-3,5-dibromophenyl)ethanone?
The canonical SMILES for 1-(2-acetyl-3,5-dibromophenyl)ethanone is CC(=O)c1cc(Br)cc(Br)c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-3,5-dibromophenyl)ethanone?
The InChIKey is BJGCTQPBQFHGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c1-5(13)8-3-7(11)4-9(12)10(8)6(2)14/h3-4H,1-2H3.
What are the key properties of 1-(2-acetyl-3,5-dibromophenyl)ethanone?
1-(2-acetyl-3,5-dibromophenyl)ethanone has a molecular weight of 319.98 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3,5-dibromophenyl)ethanone is sourced from PubChem (CID 15089985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).