2,4-bis(4-methoxyphenyl)-6-methyl-1λ4-pyran-1-ylium; tetrafluoroboranuide

• ChemBase ID: 185463
• Molecular Formular: C20H19BF4O3
• Molecular Mass: 394.1676728
• Monoisotopic Mass: 394.13633775
• SMILES: [o+]1c(cc(c2ccc(cc2)OC)cc1C)c1ccc(cc1)OC.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.COc1ccc(cc1)c1cc(C)[o+]c(c1)c1ccc(cc1)OC
• InChI: InChI=1S/C20H19O3.BF4/c1-14-12-17(15-4-8-18(21-2)9-5-15)13-20(23-14)16-6-10-19(22-3)11-7-16;2-1(3,4)5/h4-13H,1-3H3;/q+1;-1
• InChIKey: IJUXVHBRWBSLHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(4-methoxyphenyl)-6-methyl-1λ^4-pyran-1-ylium; tetrafluoroboranuide
• IUPAC Traditional name: 2,4-bis(4-methoxyphenyl)-6-methyl-1λ^4-pyran-1-ylium tetrafluoroborate

Database IDs

• PubChem SID: 164241373
• PubChem CID: 13397016

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7704
• LogD (pH = 7.4): 4.7704
• Log P: 4.7704
• Molar Refractivity: 110.0018 cm^3
• Polarizability: 37.653084 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: BF4-
• Classification: Derivatives & analogs of Natural Compounds