1'-Acetonaphthone, 4'-(2-hydroxybutoxy)-
Basic information
- CAS
7761-48-0- Standard SMILES
CCC(O)COc1ccc(C(C)=O)c2ccccc12- InChIKey
LCFHKDXZVPUSKH-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 1'-Acetonaphthone, 4'-(2-hydroxybutoxy)-
- IUPAC
- 1-[4-(2-hydroxybutoxy)naphthalen-1-yl]ethanone
- English name
- 4-(2-Hydroxybutoxy)-1-naphthalenylethanone
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
BRN 25865311-(4-Acetyl-1-naphthyloxy)-2-butanol-4'-(2-Hydroxybutoxy)-1'-acetonaphthone2-Butanol, 1-(4-acetyl-1-naphthyloxy)-7761-48-01'-ACETONAPHTHONE, 4'-(2-HYDROXYBUTOXY)-RefChem:211447DTXSID009988171-[4-(2-Hydroxybutoxy)naphthalen-1-yl]ethan-1-one4-(2-Hydroxybutoxy)-1-naphthalenylethanone
Database identifiers
- CAS
7761-48-0- PubChem CID
- 24468
- DTXSID
DTXSID00998817
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 452.731 · 452.731±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.255 · 14.255±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…