Basic information
- Standard SMILES
COc1ccccc1C1(C(=O)CCl)CCC1- InChIKey
XUIMWLLTPJDVBE-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- 2-Chloro-1-[1-(2-methoxy-phenyl)-cyclobutyl]-ethanone
- IUPAC
- 2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanone
Names & synonyms
SCHEMBL3443439XUIMWLLTPJDVBE-UHFFFAOYSA-N2-Chloro-1-[1-(2-methoxy-phenyl)-cyclobutyl]-ethanone
Database identifiers
- PubChem CID
- 21902001
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
15 records
Compound notes
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