6-hexyl-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 195001
• Molecular Formular: C25H26O4
• Molecular Mass: 390.47154
• Monoisotopic Mass: 390.18310931
• SMILES: c1(c2c(oc(=O)c1CCCCCC)cc1c(c(co1)c1cc(OC)ccc1)c2)C
• Canonical SMILES: CCCCCCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1cccc(c1)OC
• InChI: InChI=1S/C25H26O4/c1-4-5-6-7-11-19-16(2)20-13-21-22(17-9-8-10-18(12-17)27-3)15-28-23(21)14-24(20)29-25(19)26/h8-10,12-15H,4-7,11H2,1-3H3
• InChIKey: SPXOJKPVFGXLFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hexyl-3-(3-methoxyphenyl)-5-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-hexyl-3-(3-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250911
• PubChem CID: 1798587

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.3498254
• LogD (pH = 7.4): 6.3498254
• Log P: 6.3498254
• Molar Refractivity: 113.6332 cm^3
• Polarizability: 46.498325 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds