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

• ChemBase ID: 188054
• Molecular Formular: C22H20O4
• Molecular Mass: 348.3918
• Monoisotopic Mass: 348.13615912
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)occ2c1ccc(cc1)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(coc1c2C)c1ccc(cc1)OC
• InChI: InChI=1S/C22H20O4/c1-4-5-15-10-20(23)26-22-13(2)21-18(11-17(15)22)19(12-25-21)14-6-8-16(24-3)9-7-14/h6-12H,4-5H2,1-3H3
• InChIKey: FOJABJKRONKDRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-9-methyl-5-propyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(4-methoxyphenyl)-9-methyl-5-propylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243964
• PubChem CID: 707792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1339903
• LogD (pH = 7.4): 5.1339903
• Log P: 5.1339903
• Molar Refractivity: 100.5143 cm^3
• Polarizability: 40.87592 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds