Completing data — usually done within a minute
Basic information
- CAS
56443-33-5- Standard SMILES
Cc1cc(C(=O)CBr)ccc1OCc1ccccc1- InChIKey
FTQYNEKKQMCMHT-UHFFFAOYSA-N- Molecular formula
- C16H15BrO2
- Average molar mass
- 319.19 g/mol
- Monoisotopic mass
- 318.02554
Names & identifiers
- Preferred name
- 1-[4-(Benzyloxy)-3-methylphenyl]-2-bromoethanone
- IUPAC
- 2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
Names & synonyms
1-[4-(benzyloxy)-3-methylphenyl]-2-bromoethanone56443-33-5JT48D5SCZ9SCHEMBL1437989Ethanone, 2-bromo-1-[3-methyl-4-(phenylmethoxy)phenyl]-FTQYNEKKQMCMHT-UHFFFAOYSA-N4'-(Benzyloxy)-2-bromo-3'-methylacetophenone1-(4-benzyloxy-3-methyl-phenyl)-2-bromo-ethanone
Database identifiers
- CAS
56443-33-5- PubChem CID
- 12969327
- UNII
- JT48D5SCZ9
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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