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

• ChemBase ID: 181325
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)C)c2)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1coc2c1cc1c(C)cc(=O)oc1c2
• InChI: InChI=1S/C19H14O3/c1-11-3-5-13(6-4-11)16-10-21-17-9-18-14(8-15(16)17)12(2)7-19(20)22-18/h3-10H,1-2H3
• InChIKey: VVUZVYCFVXFIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237235
• PubChem CID: 699635

CALCULATED PROPERTIES

• LogD (pH = 7.4): 4.4025245
• Log P: 4.4025245
• Molar Refractivity: 84.8491 cm^3
• Polarizability: 34.706017 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4025245

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds