6-(3,4-dimethoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 219223
• Molecular Formular: C20H16O5
• Molecular Mass: 336.33804
• Monoisotopic Mass: 336.09977361
• SMILES: c1(c(=O)oc2c(c1)cc1c(occ1C)c2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1cc2cc3c(C)coc3cc2oc1=O
• InChI: InChI=1S/C20H16O5/c1-11-10-24-18-9-17-13(6-14(11)18)7-15(20(21)25-17)12-4-5-16(22-2)19(8-12)23-3/h4-10H,1-3H3
• InChIKey: HOBIGLRLFWIOLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3,4-dimethoxyphenyl)-3-methyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-(3,4-dimethoxyphenyl)-3-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164275133
• PubChem CID: 2973292

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8086498
• LogD (pH = 7.4): 3.8086498
• Log P: 3.8086498
• Molar Refractivity: 92.8094 cm^3
• Polarizability: 36.528564 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds