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

• ChemBase ID: 188023
• Molecular Formular: C25H18O4
• Molecular Mass: 382.40802
• Monoisotopic Mass: 382.12050906
• SMILES: c12c(c(oc1cc1c(c(cc(=O)o1)c1ccc(cc1)OC)c2)C)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)oc(c1c1ccccc1)C
• InChI: InChI=1S/C25H18O4/c1-15-25(17-6-4-3-5-7-17)21-12-20-19(16-8-10-18(27-2)11-9-16)13-24(26)29-22(20)14-23(21)28-15/h3-14H,1-2H3
• InChIKey: RNBDJRBWHXVOFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243933
• PubChem CID: 1774024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.064797
• LogD (pH = 7.4): 5.064797
• Log P: 5.064797
• Molar Refractivity: 120.6915 cm^3
• Polarizability: 44.96082 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