5-(4-methoxyphenyl)-2,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188418
• Molecular Formular: C26H20O4
• Molecular Mass: 396.4346
• Monoisotopic Mass: 396.13615912
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(c2C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c3ccccc3)c(oc1c2C)C
• InChI: InChI=1S/C26H20O4/c1-15-25-21(20(14-23(27)30-25)17-9-11-19(28-3)12-10-17)13-22-24(16(2)29-26(15)22)18-7-5-4-6-8-18/h4-14H,1-3H3
• InChIKey: UMDRJJKHBBHXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-2,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-(4-methoxyphenyl)-2,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164244328
• PubChem CID: 1781054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5782185
• LogD (pH = 7.4): 5.5782185
• Log P: 5.5782185
• Molar Refractivity: 125.7327 cm^3
• Polarizability: 46.727383 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds