4-[6-(4-Chlorophenoxy)hexyl]heptane-3,5-dione
Basic information
- CAS
56219-52-4- Standard SMILES
CCC(=O)C(CCCCCCOc1ccc(Cl)cc1)C(=O)CC- InChIKey
DEEDFQYTXXAGHX-UHFFFAOYSA-N- Molecular formula
- C19H27ClO3
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1648724
Names & identifiers
- Preferred name
- 4-[6-(4-Chlorophenoxy)hexyl]heptane-3,5-dione
- IUPAC
- 4-[6-(4-chlorophenoxy)hexyl]heptane-3,5-dione
Names & synonyms
4-[6-(4-chlorophenoxy)hexyl]heptane-3,5-dioneCHEMBL3248906DTXSID70125187356219-52-44-[6-(4-Chlorophenoxy)hexyl]-3,5-heptanedione3,5-Heptanedione, 4-[6-(4-chlorophenoxy)hexyl]-
Database identifiers
- CAS
56219-52-4- PubChem CID
- 514043
- DTXSID
DTXSID701251873- ChEMBL
CHEMBL3248906
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…