4-Cyclopentyl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
Basic information
- CAS
1159812-27-7- Standard SMILES
COc1cc(OC)c(C(=O)CCCC2CCCC2)c(OC)c1.Cl- InChIKey
OAONSJGLNSHUNH-UHFFFAOYSA-N- Molecular formula
- C18H27ClO4
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.159787
Names & identifiers
- Preferred name
- 4-Cyclopentyl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
- IUPAC
- 4-cyclopentyl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
Names & synonyms
AKOS015960404AC-6973
Database identifiers
- CAS
1159812-27-7- PubChem CID
- 46705307
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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