(1-phenylprop-1-en-1-yl)benzene

• ChemBase ID: 796348
• Molecular Formular: C15H14
• Molecular Mass: 194.27166
• Monoisotopic Mass: 194.10955045
• SMILES: C(=CC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H3
• InChIKey: KYVBUUNCHXRYOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylprop-1-en-1-yl)benzene
• IUPAC Traditional name: (1-phenylprop-1-en-1-yl)benzene
• Synonyms: Prop-1-ene-1,1-diyldibenzene

Database IDs

• CAS Number: 778-66-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5297813
• LogD (pH = 7.4): 4.5297813
• Log P: 4.5297813
• Molar Refractivity: 74.9705 cm^3
• Polarizability: 25.433306 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%