Basic information
- CAS
88147-75-5- Standard SMILES
COC(=O)C1CCCC2(C)c3cc(Cl)c(C(C)CO)cc3CCC12- InChIKey
FUMWZMXKGCASFK-UHFFFAOYSA-N- Molecular formula
- C20H27ClO3
- Average molar mass
- 350.9 g/mol
- Monoisotopic mass
- 350.1648724
Names & identifiers
- Preferred name
- Methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
- IUPAC
- methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Names & synonyms
88147-75-5methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylateDTXSID3010079691-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-
Database identifiers
- CAS
88147-75-5- PubChem CID
- 186451
- DTXSID
DTXSID301007969
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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