8-Methoxy-4a-methyl-4,4a,9,10-tetrahydrophenanthren-2(3h)-one
Basic information
- CAS
5720-82-1- Standard SMILES
COc1cccc2c1CCC1=CC(=O)CCC12C- InChIKey
VSZUGNOVOOTAQU-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 8-Methoxy-4a-methyl-4,4a,9,10-tetrahydrophenanthren-2(3h)-one
- IUPAC
- 8-methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
Names & synonyms
MLS0026948735720-82-1NSC888908-methoxy-4a-methyl-4,4a,9,10-tetrahydrophenanthren-2(3h)-oneCHEMBL1879197DTXSID40293358HMS3092A03NSC-88890SMR001560788
Database identifiers
- CAS
5720-82-1- PubChem CID
- 259197
- DTXSID
DTXSID40293358- ChEMBL
CHEMBL1879197
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…