4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl acetate

• ChemBase ID: 223501
• Molecular Formular: C20H14O6
• Molecular Mass: 350.32156
• Monoisotopic Mass: 350.07903817
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)OC(=O)C)oc2c(c1)cccc2OC
• Canonical SMILES: COc1cccc2c1oc(c2)c1cc(=O)oc2c1cc(cc2)OC(=O)C
• InChI: InChI=1S/C20H14O6/c1-11(21)24-13-6-7-16-14(9-13)15(10-19(22)25-16)18-8-12-4-3-5-17(23-2)20(12)26-18/h3-10H,1-2H3
• InChIKey: XNVGXHJSSUXXRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl acetate
• IUPAC Traditional name: 4-(7-methoxy-1-benzofuran-2-yl)-2-oxochromen-6-yl acetate

Database IDs

• PubChem SID: 164279411
• PubChem CID: 7295588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7452724
• LogD (pH = 7.4): 2.7452724
• Log P: 2.7452724
• Molar Refractivity: 101.4155 cm^3
• Polarizability: 36.61338 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds