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

• ChemBase ID: 195680
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c12c(c(cc(=O)o2)C)cc2c(c1C)occ2c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(C)cc(=O)oc1c2C
• InChI: InChI=1S/C20H16O4/c1-11-8-18(21)24-20-12(2)19-16(9-15(11)20)17(10-23-19)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
• InChIKey: KHZVTSFDVDNFMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251590
• PubChem CID: 907206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.244853
• LogD (pH = 7.4): 4.244853
• Log P: 4.244853
• Molar Refractivity: 91.3123 cm^3
• Polarizability: 37.183422 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds