(2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 198424
• Molecular Formular: C30H20O7
• Molecular Mass: 492.4756
• Monoisotopic Mass: 492.12090298
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3occc3)/O2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccco1)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C30H20O7/c1-2-33-20-11-13-24-23(15-20)27(29(37-24)18-7-4-3-5-8-18)30(32)35-21-10-12-22-25(17-21)36-26(28(22)31)16-19-9-6-14-34-19/h3-17H,2H2,1H3/b26-16-
• InChIKey: PWRMBBZMNXZSDR-QQXSKIMKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164254334
• PubChem CID: 1802329

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.849443
• LogD (pH = 7.4): 5.849443
• Log P: 5.849443
• Molar Refractivity: 136.3067 cm^3
• Polarizability: 53.994617 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds