1-(2-chloroethoxy)-4-(1,2-diphenylbut-1-en-1-yl)benzene

• ChemBase ID: 164277
• Molecular Formular: C24H23ClO
• Molecular Mass: 362.89182
• Monoisotopic Mass: 362.14374304
• SMILES: c1cc(ccc1)/C(=C(/c1ccccc1)\CC)/c1ccc(cc1)OCCCl
• Canonical SMILES: ClCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccccc1
• InChI: InChI=1S/C24H23ClO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18H2,1H3
• InChIKey: GWAJMDNEUFHRBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-4-(1,2-diphenylbut-1-en-1-yl)benzene; 1-(2-chloroethoxy)-4-[(1Z)-1,2-diphenylbut-1-en-1-yl]benzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-4-(1,2-diphenylbut-1-en-1-yl)benzene; 1-(2-chloroethoxy)-4-[(1Z)-1,2-diphenylbut-1-en-1-yl]benzene
• Synonyms: (E/Z)-1-(2-Chloroethoxy)-4-(1,2-diphenyl-1-butenyl)benzene; (E/Z)-1-[4-(2-Chloroethoxyphenyl]-1,2-diphenyl-1-butene; (Z)-1-(2-Chloroethoxy)-4-(1,2-diphenyl-1-butenyl)benzene; (Z)-1-[4-(2-Chloroethoxyphenyl]-1,2-diphenyl-1-butene

Database IDs

• CAS Number: 97818-83-2
• PubChem SID: 162258412
• PubChem CID: 6372856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9970675
• LogD (pH = 7.4): 6.9970675
• Log P: 6.9970675
• Molar Refractivity: 119.755 cm^3
• Polarizability: 43.015457 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - C365780

Intermediate in the prepration of Tamoxifen derivatives.

Toronto Research Chemicals - C365775

Intermediate in the prepration of Tamoxifen derivatives.

REFERENCES

• Stanciuc, O., et al.: J. Pharm. Sci., 82, 927 (1993)
• Laios, I., et al.: J. Steroid Biochem. Mol. Biol., 87, 207 (1993)