1'-Acetonaphthone, 4'-(2-hydroxyethoxy)-
Basic information
- CAS
7770-79-8- Standard SMILES
CC(=O)c1ccc(OCCO)c2ccccc12- InChIKey
QHVYMDPABLEVKQ-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 1'-Acetonaphthone, 4'-(2-hydroxyethoxy)-
- IUPAC
- 1-[4-(2-hydroxyethoxy)naphthalen-1-yl]ethanone
- English name
- 4-(2-Hydroxyethoxy)-1-naphthalenylethanone
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
7770-79-8BRN 19650732-(4-Acetyl-1-naphthyloxy)ethanol-Ethanol, 2-(4-acetyl-1-naphthyloxy)-1'-ACETONAPHTHONE, 4'-(2-HYDROXYETHOXY)-4'-(2-Hydroxyethoxy)-1'-acetonaphthoneDTXSID90228332RefChem:211448DTXCID101508231-[4-(2-hydroxyethoxy)naphthalen-1-yl]ethanoneSCHEMBL13576752DB-121640
Show more names
4-(2-Hydroxyethoxy)-1-naphthalenylethanone
1-[4-(2-Hydroxyethoxy)naphthalen-1-yl]ethan-1-one
Database identifiers
- CAS
7770-79-8- PubChem CID
- 24476
- DTXSID
DTXSID90228332
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 112 · 112-114 °C(Solvent: Methanol)
- Boiling point
- 442.508 · 442.508±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.187 · 14.187±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…