Basic information
- CAS
108907-53-5- Standard SMILES
C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1- InChIKey
JJVOBQHHQSQIMW-ZUOKHONESA-N- Molecular formula
- C22H28O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18350323
Names & identifiers
- Preferred name
- Benzenemethanol, alpha-[(1R)-1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3,5-dimethoxy-, (alphaS)-rel-
- IUPAC
- 4-[(1S,2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2,6-dimethoxyphenol
Names & synonyms
108907-53-5CHEMBL3949874Benzenemethanol, alpha-[(1R)-1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3,5-dimethoxy-, (alphaS)-rel-DTXSID801111416BDBM50202471rel-(I+/-S)-I+/--[(1R)-1-[2,6-Dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3,5-dimethoxybenzenemethanol
Database identifiers
- CAS
108907-53-5- PubChem CID
- 25751147
- DTXSID
DTXSID801111416- ChEMBL
CHEMBL3949874- Nikkaji
- J2.642.861K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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