4-(7-ethoxy-1-benzofuran-2-yl)-2H,6H,7H,8H,9H-cyclohexa[g]chromen-2-one

• ChemBase ID: 199287
• Molecular Formular: C23H20O4
• Molecular Mass: 360.4025
• Monoisotopic Mass: 360.13615912
• SMILES: c1(c2c3c(oc(=O)c2)cc2c(c3)CCCC2)oc2c(c1)cccc2OCC
• Canonical SMILES: CCOc1cccc2c1oc(c2)c1cc(=O)oc2c1cc1CCCCc1c2
• InChI: InChI=1S/C23H20O4/c1-2-25-19-9-5-8-16-12-21(27-23(16)19)18-13-22(24)26-20-11-15-7-4-3-6-14(15)10-17(18)20/h5,8-13H,2-4,6-7H2,1H3
• InChIKey: FGRZTPCXTSBMHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-ethoxy-1-benzofuran-2-yl)-2H,6H,7H,8H,9H-cyclohexa[g]chromen-2-one
• IUPAC Traditional name: 4-(7-ethoxy-1-benzofuran-2-yl)-6H,7H,8H,9H-cyclohexa[g]chromen-2-one

Database IDs

• PubChem SID: 164255197
• PubChem CID: 1523010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9470735
• LogD (pH = 7.4): 4.9470735
• Log P: 4.9470735
• Molar Refractivity: 112.5139 cm^3
• Polarizability: 40.51331 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds