6,6,9-trimethyl-3-propyl-6H-benzo[c]chromen-1-ol

• ChemBase ID: 126382
• Molecular Formular: C19H22O2
• Molecular Mass: 282.37678
• Monoisotopic Mass: 282.16197994
• SMILES: Oc1cc(cc2OC(c3c(c12)cc(cc3)C)(C)C)CCC
• Canonical SMILES: CCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C
• InChI: InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
• InChIKey: SVTKBAIRFMXQQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,9-trimethyl-3-propyl-6H-benzo[c]chromen-1-ol
• IUPAC Traditional name: cannabivarin
• Synonyms: Cannabivarin

Database IDs

• CAS Number: 33745-21-0
• PubChem SID: 162220716
• PubChem CID: 622545
• Chemspider ID: 540898
• MeSH Name: cannabivarin
• Wikipedia Title: Cannabivarin

CALCULATED PROPERTIES

• Acid pKa: 9.318552
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.523528
• LogD (pH = 7.4): 5.5184193
• Log P: 5.523594
• Molar Refractivity: 86.5343 cm^3
• Polarizability: 34.631386 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Safety Statements: R