(8E)-8-[(2-chlorophenyl)methylidene]-4-methyl-2H,8H,9H-furo[2,3-h]chromene-2,9-dione

• ChemBase ID: 190467
• Molecular Formular: C19H11ClO4
• Molecular Mass: 338.74124
• Monoisotopic Mass: 338.03458651
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2O/C(=C/c2c(Cl)cccc2)/C1=O
• Canonical SMILES: O=c1cc(C)c2c(o1)c1c(cc2)O/C(=C/c2ccccc2Cl)/C1=O
• InChI: InChI=1S/C19H11ClO4/c1-10-8-16(21)24-19-12(10)6-7-14-17(19)18(22)15(23-14)9-11-4-2-3-5-13(11)20/h2-9H,1H3/b15-9+
• InChIKey: WSWXUJFPVLXBEQ-OQLLNIDSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8E)-8-[(2-chlorophenyl)methylidene]-4-methyl-2H,8H,9H-furo[2,3-h]chromene-2,9-dione
• IUPAC Traditional name: (8E)-8-[(2-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

Database IDs

• PubChem SID: 164246377
• PubChem CID: 1745410

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9158275
• LogD (pH = 7.4): 3.9158275
• Log P: 3.9158275
• Molar Refractivity: 91.6237 cm^3
• Polarizability: 34.367344 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds