3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 192532
• Molecular Formular: C33H24O7
• Molecular Mass: 532.53946
• Monoisotopic Mass: 532.15220311
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(c(=O)c(co2)c2c(OC)cccc2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)occ(c3=O)c1ccccc1OC)c(o2)c1ccccc1
• InChI: InChI=1S/C33H24O7/c1-3-37-21-14-16-28-25(17-21)30(32(40-28)20-9-5-4-6-10-20)33(35)39-22-13-15-24-29(18-22)38-19-26(31(24)34)23-11-7-8-12-27(23)36-2/h4-19H,3H2,1-2H3
• InChIKey: XEHLPNLVJPCZMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: 3-(2-methoxyphenyl)-4-oxochromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164248442
• PubChem CID: 1776750

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.766819
• LogD (pH = 7.4): 6.766819
• Log P: 6.766819
• Molar Refractivity: 149.0729 cm^3
• Polarizability: 59.65838 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds