Basic information
- CAS
250720-23-1- Standard SMILES
CCc1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C- InChIKey
VZQGJBYAFJHRGT-PKOBYXMFSA-N- Molecular formula
- C19H28O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.21401551
Names & identifiers
- Preferred name
- 2-Phenanthrenol, 1-ethyl-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-
- IUPAC
- (4bS,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
- English name
- 2-Phenanthrenol, 1-ethyl-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-
- Molecular formula
- C19H28O
- Molecular weight
- 272.42
Names & synonyms
250720-23-1RefChem:4779012-Phenanthrenol, 1-ethyl-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-VZQGJBYAFJHRGT-PKOBYXMFSA-N(4bS,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol14-Ethylpodocarpa-8,11,13-trien-13-ol
Database identifiers
- CAS
250720-23-1- PubChem CID
- 484394
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 366.1 · 366.1±31.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.60(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2-Phenanthrenol, 1-ethyl-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-, (4bS,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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