6,6,9-trimethyl-3-propyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol

• ChemBase ID: 129792
• Molecular Formular: C19H26O2
• Molecular Mass: 286.40854
• Monoisotopic Mass: 286.19328007
• SMILES: CCCc1cc2c(C3C=C(CCC3C(O2)(C)C)C)c(c1)O
• Canonical SMILES: CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C
• InChI: InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3
• InChIKey: ZROLHBHDLIHEMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,9-trimethyl-3-propyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol
• IUPAC Traditional name: tetrahydrocannabivarin
• Synonyms: Tetrahydrocannabivarin

Database IDs

• CAS Number: 28172-17-0
• PubChem SID: 162224080
• PubChem CID: 34180
• Chemspider ID: 31500
• Wikipedia Title: Tetrahydrocannabivarin

CALCULATED PROPERTIES

• Acid pKa: 9.342931
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.054958
• LogD (pH = 7.4): 5.050126
• Log P: 5.05502
• Molar Refractivity: 87.5315 cm^3
• Polarizability: 33.78491 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, Smoked, Inhaled