1,2-bis(benzyloxy)-4-[(1E)-prop-1-en-1-yl]benzene

• ChemBase ID: 173546
• Molecular Formular: C23H22O2
• Molecular Mass: 330.41958
• Monoisotopic Mass: 330.16197994
• SMILES: c1c(c(ccc1/C=C/C)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: C/C=C/c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C23H22O2/c1-2-9-19-14-15-22(24-17-20-10-5-3-6-11-20)23(16-19)25-18-21-12-7-4-8-13-21/h2-16H,17-18H2,1H3/b9-2+
• InChIKey: ZYJGQBTVYUCNAL-XNWCZRBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(benzyloxy)-4-[(1E)-prop-1-en-1-yl]benzene
• IUPAC Traditional name: 1,2-bis(benzyloxy)-4-[(1E)-prop-1-en-1-yl]benzene
• Synonyms: (E)-1,2-Bis(phenylmethoxy)-4-(1-propen-1-yl)benzene; trans-β-Methyl(3,4-dibenzyloxy)styrene

Database IDs

• PubChem SID: 164229456
• PubChem CID: 6259025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.2301865
• LogD (pH = 7.4): 6.2301865
• Log P: 6.2301865
• Molar Refractivity: 103.5694 cm^3
• Polarizability: 39.983246 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methane; Tetrahydrofuran
• Apperance: Yellow Solid
• Melting Point: 48-50°C

DETAILS

Toronto Research Chemicals - M301150

A useful sythetic intermediate.