ethyl 4-methyl-2-oxo-9-phenyl-2H-furo[2,3-h]chromene-8-carboxylate

• ChemBase ID: 189096
• Molecular Formular: C21H16O5
• Molecular Mass: 348.34874
• Monoisotopic Mass: 348.09977361
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc2c(c1c1ccccc1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C21H16O5/c1-3-24-21(23)20-17(13-7-5-4-6-8-13)18-15(25-20)10-9-14-12(2)11-16(22)26-19(14)18/h4-11H,3H2,1-2H3
• InChIKey: GCZCBYBQAQMIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-methyl-2-oxo-9-phenyl-2H-furo[2,3-h]chromene-8-carboxylate
• IUPAC Traditional name: ethyl 4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carboxylate

Database IDs

• PubChem SID: 164245006
• PubChem CID: 904726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1693892
• LogD (pH = 7.4): 4.1693892
• Log P: 4.1693892
• Molar Refractivity: 96.4593 cm^3
• Polarizability: 39.163456 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds