2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran

• ChemBase ID: 182052
• Molecular Formular: C28H26O4
• Molecular Mass: 426.50364
• Monoisotopic Mass: 426.18310931
• SMILES: c1(C(c2oc(cc2)C)c2ccc(C(c3oc(cc3)C)c3oc(cc3)C)cc2)oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C(c1ccc(o1)C)c1ccc(cc1)C(c1ccc(o1)C)c1ccc(o1)C
• InChI: InChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3
• InChIKey: RRVUFAMSZPVECV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran
• IUPAC Traditional name: 2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran

Database IDs

• PubChem SID: 164237962
• PubChem CID: 2751428

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.653103
• LogD (pH = 7.4): 5.653103
• Log P: 5.653103
• Molar Refractivity: 125.2464 cm^3
• Polarizability: 46.727646 Å^3
• Polar Surface Area: 52.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds