3-phenyl-5-propyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186021
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CCC)c2)c1ccccc1
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-2-6-14-9-20(21)23-19-11-18-16(10-15(14)19)17(12-22-18)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
• InChIKey: JADUSYKIMZLKJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-5-propyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-phenyl-5-propylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164241931
• PubChem CID: 707703

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.77824
• LogD (pH = 7.4): 4.77824
• Log P: 4.77824
• Molar Refractivity: 89.0099 cm^3
• Polarizability: 36.635616 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds