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

• ChemBase ID: 186185
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CC)c2)c1ccccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C19H14O3/c1-2-12-8-19(20)22-18-10-17-15(9-14(12)18)16(11-21-17)13-6-4-3-5-7-13/h3-11H,2H2,1H3
• InChIKey: QYNUYSKZCBUYIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242095
• PubChem CID: 854736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3336716
• LogD (pH = 7.4): 4.3336716
• Log P: 4.3336716
• Molar Refractivity: 84.4089 cm^3
• Polarizability: 34.788616 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds