2-[4-methoxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol

• ChemBase ID: 125452
• Molecular Formular: C19H20O2
• Molecular Mass: 280.3609
• Monoisotopic Mass: 280.14632988
• SMILES: COc1c(cc(cc1)c1c(ccc(c1)CC=C)O)CC=C
• Canonical SMILES: C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)OC)O
• InChI: InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
• InChIKey: OQFHJKZVOALSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methoxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol
• IUPAC Traditional name: 2-[4-methoxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol
• Synonyms: 3,5′-Diallyl-2′-hydroxy-4-methoxybiphenyl; 4-O-Methylhonokiol

Database IDs

• CAS Number: 68592-15-4
• PubChem SID: 162219802
• PubChem CID: 155160
• Chemspider ID: 136692
• Wikipedia Title: 4-O-Methylhonokiol

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• Acid pKa: 9.22795
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.356295
• LogD (pH = 7.4): 5.3500085
• Log P: 5.356376
• Molar Refractivity: 88.2129 cm^3
• Polarizability: 35.076546 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 6