Metabolite 11-hydroxy-THC

Name
11-hydroxy-THC
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 330.4611
Monoisotopic: 330.219494826
Chemical Formula
C21H30O3
InChI Key
YCBKSSAWEUDACY-UHFFFAOYSA-N
InChI
InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3
IUPAC Name
9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol
SMILES
CCCCCC1=CC(O)=C2C3C=C(CO)CCC3C(C)(C)OC2=C1
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00934 mg/mLALOGPS
logP5.78ALOGPS
logP4.66ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.34ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.69 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity98.51 m3·mol-1ChemAxon
Polarizability39.37 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon