5-Hydroxy-4-methoxypropafenone
Basic information
- CAS
102059-09-6- Standard SMILES
CCCNCC(O)COc1cc(OC)c(O)cc1C(=O)CCc1ccccc1- InChIKey
RZWMKJCSRSDORO-UHFFFAOYSA-N- Molecular formula
- C22H29NO5
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.20457303
Names & identifiers
- Preferred name
- 5-Hydroxy-4-methoxypropafenone
- IUPAC
- 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]-4-methoxyphenyl]-3-phenylpropan-1-one
- English name
- 5-hydroxy-4-methoxypropafenone
- Molecular formula
- C22H29NO5
- Molecular weight
- 387.46936
Names & synonyms
5-Hydroxy-4-methoxypropafenone102059-09-6LU-45032RefChem:102801LU 45032DTXSID409070241-{5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]-4-methoxyphenyl}-3-phenylpropan-1-one1-Propanone, 1-(5-hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)-4-methoxyphenyl)-3-phenyl-
Database identifiers
- CAS
102059-09-6- PubChem CID
- 128012
- DTXSID
DTXSID40907024
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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