2-Bromo-1-(3-ethyl-4-hydroxyphenyl)ethanone
Basic information
- CAS
73898-24-5- Standard SMILES
CCc1cc(C(=O)CBr)ccc1O- InChIKey
FCDZBFGPNCCYGD-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-Bromo-1-(3-ethyl-4-hydroxyphenyl)ethanone
- IUPAC
- 2-bromo-1-(3-ethyl-4-hydroxyphenyl)ethanone
Names & synonyms
2-bromo-1-(3-ethyl-4-hydroxyphenyl)ethanone73898-24-5RefChem:256809SCHEMBL8647422SCHEMBL8772648DTXSID2012618292-Bromo-1-(3-ethyl-4-hydroxyphenyl)ethan-1-one
Database identifiers
- CAS
73898-24-5- PubChem CID
- 21472402
- DTXSID
DTXSID201261829
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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