1'-Acetonaphthone, 4'-(2-hydroxypropoxy)-
Basic information
- CAS
7761-47-9- Standard SMILES
CC(=O)c1ccc(OCC(C)O)c2ccccc12- InChIKey
LYQLKLJMPLDCIZ-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- 1'-Acetonaphthone, 4'-(2-hydroxypropoxy)-
- IUPAC
- 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]ethanone
- English name
- 4-(2-Hydroxypropoxy)-1-naphthalenylethanone
- Molecular formula
- C15H16O3
- Molecular weight
- 244.29
Names & synonyms
BRN 03994531-(4-Acetyl-1-naphthoxy)-2-propanol4'-(2-Hydroxypropoxy)-1'-acetonaphthone2-Propanol, 1-(4-acetyl-1-naphthyloxy)-1'-ACETONAPHTHONE, 4'-(2-HYDROXYPROPOXY)-7761-47-9RefChem:211449DTXSID409988161-[4-(2-Hydroxypropoxy)naphthalen-1-yl]ethan-1-one4-(2-Hydroxypropoxy)-1-naphthalenylethanoneEthanone, 1-[4-(2-hydroxypropoxy)-1-naphthalenyl]-
Database identifiers
- CAS
7761-47-9- PubChem CID
- 24467
- DTXSID
DTXSID40998816
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 443.433 · 443.433±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.255 · 14.255±0.20(predicted)
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Compound notes
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