4-[(1R,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol

• ChemBase ID: 178376
• Molecular Formular: C23H22O2
• Molecular Mass: 330.41958
• Monoisotopic Mass: 330.16197994
• SMILES: c1c(cc2c(c1)[C@H]([C@H](CC2)c1ccccc1)c1ccc(cc1)O)OC
• Canonical SMILES: COc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccc(cc1)O)c1ccccc1
• InChI: InChI=1S/C23H22O2/c1-25-20-12-14-22-18(15-20)9-13-21(16-5-3-2-4-6-16)23(22)17-7-10-19(24)11-8-17/h2-8,10-12,14-15,21,23-24H,9,13H2,1H3/t21-,23+/m1/s1
• InChIKey: KUALGQALXWQQPQ-GGAORHGYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1R,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
• IUPAC Traditional name: 4-[(1R,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
• Synonyms: cis-4-(6-Methoxy-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl)phenol; rel-4-[(1R,2S)-1,2,3,4-Tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl]phenol; cis-4-(1,2,3,4-Tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl)phenol

Database IDs

• CAS Number: 14089-22-6
• PubChem SID: 164234286
• PubChem CID: 25117024

CALCULATED PROPERTIES

• Acid pKa: 10.095768
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.8058987
• LogD (pH = 7.4): 5.8050404
• Log P: 5.8059096
• Molar Refractivity: 101.2715 cm^3
• Polarizability: 39.085476 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - T293865

Lasofoxifene intermediate.

REFERENCES

• Tatee, T., et al.: J. Med. Chem., 22, 1509 (1979)
• Wellmann, F., et al.: J. Biosci., 46, 252 (1979)