4,8,9-trimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 194869
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c12c(c(c(=O)oc2cc(c2c1occ2c1cc2c(cc1)cccc2)C)C)C
• Canonical SMILES: Cc1cc2oc(=O)c(c(c2c2c1c(co2)c1ccc2c(c1)cccc2)C)C
• InChI: InChI=1S/C24H18O3/c1-13-10-20-22(14(2)15(3)24(25)27-20)23-21(13)19(12-26-23)18-9-8-16-6-4-5-7-17(16)11-18/h4-12H,1-3H3
• InChIKey: KJJFPHWRELMSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8,9-trimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 4,8,9-trimethyl-3-(naphthalen-2-yl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164250779
• PubChem CID: 1798390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7875514
• LogD (pH = 7.4): 5.7875514
• Log P: 5.7875514
• Molar Refractivity: 105.6564 cm^3
• Polarizability: 44.167747 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds