4-[4-(benzyloxy)phenyl]-7-methoxy-3-phenyl-1,2-dihydronaphthalene

• ChemBase ID: 167592
• Molecular Formular: C30H26O2
• Molecular Mass: 418.52624
• Monoisotopic Mass: 418.19328007
• SMILES: c1c(cc2c(c1)C(=C(CC2)c1ccccc1)c1ccc(cc1)OCc1ccccc1)OC
• Canonical SMILES: COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H26O2/c1-31-27-17-19-29-25(20-27)14-18-28(23-10-6-3-7-11-23)30(29)24-12-15-26(16-13-24)32-21-22-8-4-2-5-9-22/h2-13,15-17,19-20H,14,18,21H2,1H3
• InChIKey: GXAWUBYOPVAHKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(benzyloxy)phenyl]-7-methoxy-3-phenyl-1,2-dihydronaphthalene
• IUPAC Traditional name: 1-[4-(benzyloxy)phenyl]-6-methoxy-2-phenyl-3,4-dihydronaphthalene
• Synonyms: 3,4-Dihydro-6-methoxy-2-phenyl-1-[4-(phenylmethoxy)phenyl]naphthalene

Database IDs

• CAS Number: 308812-06-8
• PubChem SID: 162261725
• PubChem CID: 9888285

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.504506
• LogD (pH = 7.4): 7.504506
• Log P: 7.504506
• Molar Refractivity: 140.1255 cm^3
• Polarizability: 50.712254 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

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

DETAILS

Toronto Research Chemicals - D449025

Lasofoxifene intermediate.

REFERENCES

• Blizzard, T., et al.: Bioorg. Med. Chem. Lett., 15, 5124 (2005)