2,3-Dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
Basic information
- CAS
38835-17-5- Standard SMILES
COc1ccc2cc(C(C)C(=O)OCC(O)CO)ccc2c1- InChIKey
NQGWSPZQESAHBV-UHFFFAOYSA-N- Molecular formula
- C17H20O5
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.13107373
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
- IUPAC
- 2,3-dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
- English name
- 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 2,3-dihydroxypropyl ester
- Molecular formula
- C17H20O5
- Molecular weight
- 304.34
Names & synonyms
38835-17-52,3-dihydroxypropyl 2-(6-methoxynaphthalen-2-yl)propanoateDTXSID80959623RefChem:1059433DTXCID2013874976-Methoxy-alpha-methyl-2-naphthaleneacetic acid 2,3-dihydroxypropyl esterGlycerol 1-[2-(6-Methoxy-2-naphthyl)propionate]2,3-Dihydroxyethyl naproxenate2-NAPHTHALENEACETIC ACID, 6-METHOXY-alpha-METHYL-, 2,3-DIHYDROXYPROPYL ESTERNaproxen Glycerol Ester Impurity2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 2,3-dihydroxypropyl ester
Database identifiers
- CAS
38835-17-5- PubChem CID
- 38104
- DTXSID
DTXSID80959623- Nikkaji
- J588.540J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
LogP2.65
Physicochemical properties
- Boiling point
- 500.1 · 500.1±40.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.20(Predicted)
Chemistry & industry
Applications
UsesGlycerol 1-[2-(6-Methoxy-2-naphthyl)propionate] is a Naproxen glycerol ester impurity impurity. Glycerol 1-[2-(6-Methoxy-2-naphthyl)propionate] is a useful research chemical with pharmaceutical applications such as an antipyretic, analgesic and anti-inflammatory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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