Basic information
- CAS
5976-62-5- Standard SMILES
COc1ccc2c(c1O)CCC1C2CCC2(C)C(=O)CCC12- InChIKey
XITPEPUPAYFVDV-UHFFFAOYSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- 4-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
- IUPAC
- 4-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
4-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-oneDTXSID70975170
Database identifiers
- CAS
5976-62-5- PubChem CID
- 22284
- DTXSID
DTXSID70975170
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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