1-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
Basic information
- Standard SMILES
COc1cc(O)c2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
ZINHDBSLIPZTMU-QZNHQWIBSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
- IUPAC
- (8R,9S,13S,14S)-1-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
SCHEMBL11578686ZINHDBSLIPZTMU-QZNHQWIBSA-N1-hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
Database identifiers
- PubChem CID
- 54548906
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
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Related reactions
2 records
Compound notes
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