7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 191556
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)c1cc(OC)ccc1)cc2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)C(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H18O5/c1-27-18-9-5-8-17(12-18)22(25)15-28-19-10-11-20-21(16-6-3-2-4-7-16)14-24(26)29-23(20)13-19/h2-14H,15H2,1H3
• InChIKey: NBFNHFWHVJALOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164247466
• PubChem CID: 1321851

CALCULATED PROPERTIES

• Acid pKa: 16.5404
• 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: 41.80184 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