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

• ChemBase ID: 198806
• Molecular Formular: C30H20O7
• Molecular Mass: 492.4756
• Monoisotopic Mass: 492.12090298
• SMILES: c1(c(oc2c1cc(OCc1ccccc1)cc2)C)C(=O)Oc1cc2c(C(=O)/C(=C/c3occc3)/O2)cc1
• Canonical SMILES: O=C(c1c(C)oc2c1cc(OCc1ccccc1)cc2)Oc1ccc2c(c1)O/C(=C\c1ccco1)/C2=O
• InChI: InChI=1S/C30H20O7/c1-18-28(24-14-21(10-12-25(24)35-18)34-17-19-6-3-2-4-7-19)30(32)36-22-9-11-23-26(16-22)37-27(29(23)31)15-20-8-5-13-33-20/h2-16H,17H2,1H3/b27-15-
• InChIKey: JMOPOAMMDNBXFB-DICXZTSXSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254716
• PubChem CID: 1802787

CALCULATED PROPERTIES

• Molar Refractivity: 136.3067 cm^3
• Polarizability: 52.54495 Å^3
• Polar Surface Area: 88.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.849443
• LogD (pH = 7.4): 5.849443
• Log P: 5.849443

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds