(2R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-ol

• ChemBase ID: 806738
• Molecular Formular: C14H21NO3
• Molecular Mass: 251.32144
• Monoisotopic Mass: 251.15214354
• SMILES: C([C@H](C)[C@@H]1c2cc(c(cc2CCN1)OC)OC)O
• Canonical SMILES: OC[C@@H]([C@H]1NCCc2c1cc(OC)c(c2)OC)C
• InChI: InChI=1S/C14H21NO3/c1-9(8-16)14-11-7-13(18-3)12(17-2)6-10(11)4-5-15-14/h6-7,9,14-16H,4-5,8H2,1-3H3/t9-,14+/m0/s1
• InChIKey: NOKHNYXMHMHPQS-LKFCYVNXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-ol
• IUPAC Traditional name: (2R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-ol
• Synonyms: (R)-2-((R)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PROPAN-1-OL

CALCULATED PROPERTIES

• Acid pKa: 15.420125
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8895442
• LogD (pH = 7.4): -0.44506586
• Log P: 1.165089
• Molar Refractivity: 70.7863 cm^3
• Polarizability: 27.747095 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%