2-[Hydroxy(3-methoxyphenyl)methyl]cycloheptanone
Basic information
- CAS
187993-33-5- Standard SMILES
COc1cccc(C(O)C2CCCCCC2=O)c1- InChIKey
KDPBUSBZMFZYFU-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- 2-[Hydroxy(3-methoxyphenyl)methyl]cycloheptanone
- IUPAC
- 2-[hydroxy-(3-methoxyphenyl)methyl]cycloheptan-1-one
Names & synonyms
2-[Hydroxy(3-methoxyphenyl)methyl]cycloheptanoneSCHEMBL7490400DTXSID001236018187993-33-52-[Hydroxy(3-methoxyphenyl)methyl]cycloheptan-1-one
Database identifiers
- CAS
187993-33-5- PubChem CID
- 18367381
- DTXSID
DTXSID001236018
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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