(3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
Basic information
- Standard SMILES
COc1ccc(C2Oc3c(cc(O)c(OC)c3C)[C@@H]2C)cc1OC- InChIKey
MVMPXFIUJRKPNQ-YOZOHBORSA-N- Molecular formula
- C19H22O5
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1467238
Names & identifiers
- Preferred name
- (3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
- IUPAC
- (3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
Names & synonyms
NSC649981NSC-649981NCI60_017429
Database identifiers
- PubChem CID
- 373528
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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