7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 187193
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)c1ccc(cc1)OC)cc2)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H18O5/c1-27-18-9-7-17(8-10-18)22(25)15-28-19-11-12-20-21(16-5-3-2-4-6-16)14-24(26)29-23(20)13-19/h2-14H,15H2,1H3
• InChIKey: MWZVXDCUDZWDIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164243103
• PubChem CID: 987900

CALCULATED PROPERTIES

• Acid pKa: 16.865738
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.133438
• LogD (pH = 7.4): 4.133438
• Log P: 4.133438
• Molar Refractivity: 117.9294 cm^3
• Polarizability: 41.801258 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds