ethyl 3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 227088
• Molecular Formular: C29H26O7
• Molecular Mass: 486.51254
• Monoisotopic Mass: 486.16785317
• SMILES: c12c(OC(C2c2ccc(cc2)OCCc2ccc(cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(cc1)OCCc1ccc(cc1)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C29H26O7/c1-3-33-29(31)27-24(25-26(36-27)22-6-4-5-7-23(22)35-28(25)30)19-10-14-21(15-11-19)34-17-16-18-8-12-20(32-2)13-9-18/h4-15,24,27H,3,16-17H2,1-2H3
• InChIKey: ZQJAJMGBYPWKBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282998
• PubChem CID: 71754225

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.453868
• LogD (pH = 7.4): 4.453868
• Log P: 4.453868
• Molar Refractivity: 133.0258 cm^3
• Polarizability: 51.61765 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds