Basic information
- Standard SMILES
COc1c2c(c(C)c3c(COC(C)=O)coc13)[C@@H](C)CC=C2- InChIKey
OAUIVPUMZYBOSH-JTQLQIEISA-N- Molecular formula
- C18H20O4
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.13615912
Names & identifiers
- Preferred name
- [(5S)-9-methoxy-4,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-3-yl]methyl acetate
- IUPAC
- [(5S)-9-methoxy-4,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-3-yl]methyl acetate
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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