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

• ChemBase ID: 191969
• Molecular Formular: C25H18O5
• Molecular Mass: 398.40742
• Monoisotopic Mass: 398.11542368
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1cc(OC)ccc1)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)occ1c1cccc(c1)OC
• InChI: InChI=1S/C25H18O5/c1-27-17-8-6-15(7-9-17)19-12-25(26)30-24-13-23-21(11-20(19)24)22(14-29-23)16-4-3-5-18(10-16)28-2/h3-14H,1-2H3
• InChIKey: BURHVDPUSWDKFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247879
• PubChem CID: 1769872

CALCULATED PROPERTIES

• Molar Refractivity: 122.005 cm^3
• Polarizability: 45.681797 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7075644
• LogD (pH = 7.4): 4.7075644
• Log P: 4.7075644

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds