Basic information
- CAS
118326-95-7- Standard SMILES
COc1ccc2c(c1)[C@@H]1CCCC[C@H]1C=C2- InChIKey
MYLYRYCVWROLJA-SMDDNHRTSA-N- Molecular formula
- C15H18O
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.13576519
Names & identifiers
- Preferred name
- 6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
- IUPAC
- (4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene
Names & synonyms
6-Methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene118326-95-7S0376V3B2J1,2,3,4,4a,10a-Hexahydro-6-methoxy phenanthrene, trans-CCRIS 7435UNII-S0376V3B2JDTXSID70922664(4aR,10aS)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthreneQ27896563trans-1,2,3,4,4a,10a-hexahydro-6-methoxy phenanthrenePhenanthrene, 1,2,3,4,4a,10a-hexahydro-6-methoxy-, trans-
Database identifiers
- CAS
118326-95-7- PubChem CID
- 147243
- DTXSID
DTXSID70922664- UNII
- S0376V3B2J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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