Basic information
- CAS
62856-23-9- Standard SMILES
CCCCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1- InChIKey
PHXJREPXHKDYII-UHFFFAOYSA-N- Molecular formula
- C18H19BrO
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.06192733
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1-(4-butylphenyl)ethan-1-one
- IUPAC
- 2-(4-bromophenyl)-1-(4-butylphenyl)ethanone
Names & synonyms
62856-23-92-(4-Bromophenyl)-1-(4-butylphenyl)ethan-1-oneSCHEMBL13959593DTXSID00655872PHXJREPXHKDYII-UHFFFAOYSA-N2-(4-bromophenyl)-1-(4-butylphenyl) ethanone2-(4-Bromo-phenyl)-1-(4-butyl-phenyl)-ethanone
Database identifiers
- CAS
62856-23-9- PubChem CID
- 43337844
- DTXSID
DTXSID00655872
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
4 records
Compound notes
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