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

• ChemBase ID: 188356
• Molecular Formular: C25H18O4
• Molecular Mass: 382.40802
• Monoisotopic Mass: 382.12050906
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)C)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)C
• InChI: InChI=1S/C25H18O4/c1-15-3-5-17(6-4-15)22-14-28-23-13-24-20(11-21(22)23)19(12-25(26)29-24)16-7-9-18(27-2)10-8-16/h3-14H,1-2H3
• InChIKey: SAXYQNCCUIOJBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244266
• PubChem CID: 1780976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.378657
• LogD (pH = 7.4): 5.378657
• Log P: 5.378657
• Molar Refractivity: 120.583 cm^3
• Polarizability: 44.961597 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