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

• ChemBase ID: 190943
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)OC/C=C/c1ccccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OC/C=C/c1ccccc1
• InChI: InChI=1S/C25H20O4/c1-27-20-11-9-19(10-12-20)23-17-25(26)29-24-16-21(13-14-22(23)24)28-15-5-8-18-6-3-2-4-7-18/h2-14,16-17H,15H2,1H3/b8-5+
• InChIKey: HCHZHHDXSQUURD-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246853
• PubChem CID: 1761830

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2356043
• LogD (pH = 7.4): 5.2356043
• Log P: 5.2356043
• Molar Refractivity: 122.9589 cm^3
• Polarizability: 43.4408 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