[(1E)-2-phenylprop-1-en-1-yl]benzene

• ChemBase ID: 295356
• Molecular Formular: C15H14
• Molecular Mass: 194.27166
• Monoisotopic Mass: 194.10955045
• SMILES: C/C(=C\c1ccccc1)/c1ccccc1
• Canonical SMILES: C/C(=C\c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b13-12+
• InChIKey: OVZXISBUYCEVEV-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1E)-2-phenylprop-1-en-1-yl]benzene
• IUPAC Traditional name: [(1E)-2-phenylprop-1-en-1-yl]benzene
• Synonyms: (E)-1-Methyl-1,2-diphenylethylene; (E)-alpha-Methylstilbene; (E)-α-甲基-1,2二苯基乙烯

Database IDs

• CAS Number: 833-81-8
• EC Number: 212-300-0
• MDL Number: MFCD00026343
• Beilstein Number: 1906425
• PubChem SID: 180680887
• PubChem CID: 1549166

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6124816
• LogD (pH = 7.4): 4.6124816
• Log P: 4.6124816
• Molar Refractivity: 65.7948 cm^3
• Polarizability: 25.520435 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-82°C
• Density: 0.986

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%