17H-Cyclopenta(a)phenanthren-17-one, 11,12,15,16-tetrahydro-2-methoxy-
Basic information
- CAS
55651-42-8- Standard SMILES
COc1ccc2ccc3c(c2c1)CCC1=C3CCC1=O- InChIKey
YFZBQPLWPCIXLC-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- 17H-Cyclopenta(a)phenanthren-17-one, 11,12,15,16-tetrahydro-2-methoxy-
- IUPAC
- 2-methoxy-11,12,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
17H-Cyclopenta(a)phenanthren-17-one, 11,12,15,16-tetrahydro-2-methoxy-55651-42-8DTXSID502041772-methoxygona-1,3,5(10),6,8,13-hexaen-17-one
Database identifiers
- CAS
55651-42-8- PubChem CID
- 180519
- DTXSID
DTXSID50204177
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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