(1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol

• ChemBase ID: 305677
• Molecular Formular: C15H20O3
• Molecular Mass: 248.3175
• Monoisotopic Mass: 248.1412445
• SMILES: c1c(cc2c(c1O)[C@]1(CC2)CC[C@@H](CC1)O)OC
• Canonical SMILES: COc1cc(O)c2c(c1)CC[C@@]12CC[C@@H](CC1)O
• InChI: InChI=1S/C15H20O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h8-9,11,16-17H,2-7H2,1H3/t11-,15+
• InChIKey: ZFFYHYZOCYEEPL-WGRBQBNCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol
• IUPAC Traditional name: (1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol
• Synonyms: β-Cannabispiranol; Cannabispirol

Database IDs

• CAS Number: 64052-90-0

CALCULATED PROPERTIES

• Acid pKa: 10.1082
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5900118
• LogD (pH = 7.4): 2.589178
• Log P: 2.5900226
• Molar Refractivity: 70.0773 cm^3
• Polarizability: 27.187614 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder