3-(2-methoxyphenyl)-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-4H-chromen-4-one

• ChemBase ID: 198185
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC/C=C/c1ccccc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1coc2c(c1=O)ccc(c2)OC/C=C/c1ccccc1
• InChI: InChI=1S/C25H20O4/c1-27-23-12-6-5-11-20(23)22-17-29-24-16-19(13-14-21(24)25(22)26)28-15-7-10-18-8-3-2-4-9-18/h2-14,16-17H,15H2,1H3/b10-7+
• InChIKey: PWJYLKWBHYXDGD-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-4H-chromen-4-one
• IUPAC Traditional name: 3-(2-methoxyphenyl)-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}chromen-4-one

Database IDs

• PubChem SID: 164254095
• PubChem CID: 1752648

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3566146
• LogD (pH = 7.4): 5.3566146
• Log P: 5.3566146
• Molar Refractivity: 113.5978 cm^3
• Polarizability: 43.428043 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds