1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene

• ChemBase ID: 179859
• Molecular Formular: C21H17ClO
• Molecular Mass: 320.81208
• Monoisotopic Mass: 320.09679284
• SMILES: C(=C(\c1ccccc1)/Cl)(\c1ccc(cc1)OC)/c1ccccc1
• Canonical SMILES: COc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1
• InChI: InChI=1S/C21H17ClO/c1-23-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)21(22)18-10-6-3-7-11-18/h2-15H,1H3/b21-20+
• InChIKey: CRZZNHLZXLMEPA-QZQOTICOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene
• IUPAC Traditional name: 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene
• Synonyms: 8753

Database IDs

• PubChem SID: 164235769
• PubChem CID: 1928982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.742677
• LogD (pH = 7.4): 5.742677
• Log P: 5.742677
• Molar Refractivity: 106.2449 cm^3
• Polarizability: 37.481144 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Estrogen antagonist; Gonadotrophin inhibitor;

Product Information

• Application(s): Antiestrogenic; Gonad stimulant