Basic information
- Standard SMILES
COc1ccc2c(c1F)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
IAUARCGQZRBNPE-BFDPJXHCSA-N- Molecular formula
- C19H23FO2
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro1,3,5(10)estratrien-3ol-17one methyl ether
- IUPAC
- (8R,9S,13S,14S)-4-fluoro-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
SCHEMBL9154839IAUARCGQZRBNPE-BFDPJXHCSA-N4-fluoro1,3,5(10)estratrien-3ol-17one methyl ether4-fluoro-1,3,5(10)estratrien-3ol-17one methyl ether
Database identifiers
- PubChem CID
- 12535083
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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