6-hexyl-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188406
• Molecular Formular: C26H28O3
• Molecular Mass: 388.49872
• Monoisotopic Mass: 388.20384476
• SMILES: c12c(c(c(c(=O)o1)CCCCCC)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: CCCCCCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C26H28O3/c1-5-6-7-11-14-20-16(2)21-15-22-23(19-12-9-8-10-13-19)18(4)28-25(22)17(3)24(21)29-26(20)27/h8-10,12-13,15H,5-7,11,14H2,1-4H3
• InChIKey: PFOYTDQUEQDXNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hexyl-2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-hexyl-2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164244316
• PubChem CID: 1781036

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.2204795
• LogD (pH = 7.4): 7.2204795
• Log P: 7.2204795
• Molar Refractivity: 117.3609 cm^3
• Polarizability: 47.553154 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds