1'-Acetonaphthone, 4'-(2-hydroxy-3-isopropoxypropoxy)-
Basic information
- CAS
7761-49-1- Standard SMILES
CC(=O)c1ccc(OCC(O)COC(C)C)c2ccccc12- InChIKey
NFGWMGZNGLKAFF-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- 1'-Acetonaphthone, 4'-(2-hydroxy-3-isopropoxypropoxy)-
- IUPAC
- 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone
- English name
- 4-(2-Hydroxy-3-isopropoxypropoxy)-1-naphthalenylethanone
- Molecular formula
- C18H22O4
- Molecular weight
- 302.36
Names & synonyms
BRN 25373451-(4-Acetyl-1-naphthyloxy)-3-isopropoxy-2-propanol2-Propanol, 1-(4-acetyl-1-naphthyloxy)-3-isopropoxy-4'-((2-Hydroxy-3-isopropoxy)propoxy)-1'-acetonaphthone7761-49-11'-ACETONAPHTHONE, 4'-(2-HYDROXY-3-ISOPROPOXYPROPOXY)-RefChem:211446DTXSID609988181-(4-{2-Hydroxy-3-[(propan-2-yl)oxy]propoxy}naphthalen-1-yl)ethan-1-one4-(2-Hydroxy-3-isopropoxypropoxy)-1-naphthalenylethanoneEthanone, 1-[4-[2-hydroxy-3-(1-methylethoxy)propoxy]-1-naphthalenyl]-
Database identifiers
- CAS
7761-49-1- PubChem CID
- 24469
- DTXSID
DTXSID60998818
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 478.7 · 478.7±30.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…