Metabolite 5-exo-hydroxyfenchone
- Name
- 5-exo-hydroxyfenchone
- Description
- Not Available
- Structure
Structure for 5-exo-hydroxyfenchone
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 168.236
Monoisotopic: 168.115029755 - Chemical Formula
- C10H16O2
- InChI Key
- DJQYBVLXBVJHMU-IROMYEEYSA-N
- InChI
- InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7?,10-/m1/s1
- IUPAC Name
- (1S,4S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- SMILES
- CC1(C)[C@@H]2CC(=O)[C@@]1(C)CC2O
- Reactions
- External Links
- ChemSpider
- 32966590
- Predicted Properties
Property Value Source Water Solubility 12.4 mg/mL ALOGPS logP 1.12 ALOGPS logP 1.24 ChemAxon logS -1.1 ALOGPS pKa (Strongest Acidic) 14.88 ChemAxon pKa (Strongest Basic) -2.9 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 37.3 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 46.08 m3·mol-1 ChemAxon Polarizability 18.61 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon