Basic information
- CAS
13850-26-5- Standard SMILES
COc1ccc2c(c1)CCC1=C(C)C(=O)CCC12C- InChIKey
QOECYSIXQCIRRT-UHFFFAOYSA-N- Molecular formula
- C17H20O2
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.14632988
Names & identifiers
- Preferred name
- 7-Methoxy-1,4a-dimethyl-4,4a,9,10-tetrahydrophenanthren-2(3h)-one
- IUPAC
- 7-methoxy-1,4a-dimethyl-3,4,9,10-tetrahydrophenanthren-2-one
Names & synonyms
13850-26-57-methoxy-1,4a-dimethyl-4,4a,9,10-tetrahydrophenanthren-2(3h)-oneNSC152706SCHEMBL6249460DTXSID40302277QOECYSIXQCIRRT-UHFFFAOYSA-NNSC149931NSC-149931NSC-152706(rac)-7-methoxy-1,4a-dimethyl-4,4a,9,10-tetrahydro-3h-phenanthren-2-one
Database identifiers
- CAS
13850-26-5- PubChem CID
- 288652
- DTXSID
DTXSID40302277
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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