3-(naphthalen-2-yl)-5-propyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188938
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c1(c2c(oc1)cc1c(c(cc(=O)o1)CCC)c2)c1cc2c(cc1)cccc2
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(c2)occ1c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H18O3/c1-2-5-17-11-24(25)27-23-13-22-20(12-19(17)23)21(14-26-22)18-9-8-15-6-3-4-7-16(15)10-18/h3-4,6-14H,2,5H2,1H3
• InChIKey: FZYXQKDDXQFABB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244848
• PubChem CID: 1789093

CALCULATED PROPERTIES

• Molar Refractivity: 105.4601 cm^3
• Polarizability: 44.248886 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.767717
• LogD (pH = 7.4): 5.767717
• Log P: 5.767717

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds