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

• ChemBase ID: 194623
• Molecular Formular: C20H16O4
• Molecular Mass: 320.33864
• Monoisotopic Mass: 320.10485899
• SMILES: c1(c2c(oc(=O)c1C)cc1c(c(co1)c1cc(OC)ccc1)c2)C
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(c2)oc(=O)c(c1C)C
• InChI: InChI=1S/C20H16O4/c1-11-12(2)20(21)24-19-9-18-16(8-15(11)19)17(10-23-18)13-5-4-6-14(7-13)22-3/h4-10H,1-3H3
• InChIKey: CENLGJHOOPWDQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250533
• PubChem CID: 707798

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.126982
• LogD (pH = 7.4): 4.126982
• Log P: 4.126982
• Molar Refractivity: 90.6282 cm^3
• Polarizability: 37.266068 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