1-(prop-2-en-1-yloxy)-4-{2-[4-(prop-2-en-1-yloxy)phenyl]propan-2-yl}benzene

• ChemBase ID: 180188
• Molecular Formular: C21H24O2
• Molecular Mass: 308.41406
• Monoisotopic Mass: 308.17763001
• SMILES: C(c1ccc(cc1)OCC=C)(c1ccc(cc1)OCC=C)(C)C
• Canonical SMILES: C=CCOc1ccc(cc1)C(c1ccc(cc1)OCC=C)(C)C
• InChI: InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
• InChIKey: SCZZNWQQCGSWSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yloxy)-4-{2-[4-(prop-2-en-1-yloxy)phenyl]propan-2-yl}benzene
• IUPAC Traditional name: 1-(prop-2-en-1-yloxy)-4-{2-[4-(prop-2-en-1-yloxy)phenyl]propan-2-yl}benzene
• Synonyms: 2,2'-Diallylbisphenol A

Database IDs

• CAS Number: 1745-89-7
• PubChem SID: 164236098
• PubChem CID: 77333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.799263
• LogD (pH = 7.4): 5.799263
• Log P: 5.799263
• Molar Refractivity: 106.5651 cm^3
• Polarizability: 37.345222 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false