1-[(E)-2-phenylethenyl]-4-(2-phenylethyl)benzene

• ChemBase ID: 296627
• Molecular Formular: C22H20
• Molecular Mass: 284.3942
• Monoisotopic Mass: 284.15650064
• SMILES: c1ccc(cc1)CCc1ccc(cc1)/C=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)CCc1ccc(cc1)/C=C/c1ccccc1
• InChI: InChI=1S/C22H20/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-11,13,15-18H,12,14H2/b13-11+
• InChIKey: VKIHNQGTZXZCPE-ACCUITESSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-phenylethenyl]-4-(2-phenylethyl)benzene
• IUPAC Traditional name: 1-[(E)-2-phenylethenyl]-4-(2-phenylethyl)benzene
• Synonyms: 4-Phenethyl-trans-stilbene; 4-(trans-beta-Styryl)bibenzyl; 1-(trans-2-Phenylethenyl)-4-(2-phenylethyl)benzene; 1-(反-2-苯乙烯基)-4-(2-苯乙基)苯

Database IDs

• CAS Number: 95166-77-1
• MDL Number: MFCD12407080
• PubChem SID: 180682158
• PubChem CID: 59832893

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8494496
• LogD (pH = 7.4): 6.8494496
• Log P: 6.8494496
• Molar Refractivity: 95.851 cm^3
• Polarizability: 36.846924 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 155-157°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%