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

• ChemBase ID: 186591
• Molecular Formular: C19H13FO3
• Molecular Mass: 308.3031232
• Monoisotopic Mass: 308.0848725
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CC)c2)c1ccc(cc1)F
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)F
• InChI: InChI=1S/C19H13FO3/c1-2-11-7-19(21)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(20)6-4-12/h3-10H,2H2,1H3
• InChIKey: SHAPNABEVNFWMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242501
• PubChem CID: 707737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4763737
• LogD (pH = 7.4): 4.4763737
• Log P: 4.4763737
• Molar Refractivity: 84.6253 cm^3
• Polarizability: 34.363503 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