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

• ChemBase ID: 195060
• Molecular Formular: C22H20O4
• Molecular Mass: 348.3918
• Monoisotopic Mass: 348.13615912
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(c2C)occ1c1cc(OC)ccc1
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1cccc(c1)OC
• InChI: InChI=1S/C22H20O4/c1-5-16-12(2)17-10-18-19(14-7-6-8-15(9-14)24-4)11-25-20(18)13(3)21(17)26-22(16)23/h6-11H,5H2,1-4H3
• InChIKey: DRSHVUUQVVBWKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-3-(3-methoxyphenyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-ethyl-3-(3-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250970
• PubChem CID: 907056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0849724
• LogD (pH = 7.4): 5.0849724
• Log P: 5.0849724
• Molar Refractivity: 100.2704 cm^3
• Polarizability: 40.87909 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