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

• ChemBase ID: 187871
• Molecular Formular: C24H18O4
• Molecular Mass: 370.39732
• Monoisotopic Mass: 370.12050906
• SMILES: c12c(=O)cc(oc1cc(cc2O)OC/C=C/c1ccccc1)c1ccccc1
• Canonical SMILES: Oc1cc(OC/C=C/c2ccccc2)cc2c1c(=O)cc(o2)c1ccccc1
• InChI: InChI=1S/C24H18O4/c25-20-14-19(27-13-7-10-17-8-3-1-4-9-17)15-23-24(20)21(26)16-22(28-23)18-11-5-2-6-12-18/h1-12,14-16,25H,13H2/b10-7+
• InChIKey: VXRQEDMGPFPQNN-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-2-phenyl-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-4H-chromen-4-one
• IUPAC Traditional name: 5-hydroxy-2-phenyl-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}chromen-4-one

Database IDs

• PubChem SID: 164243781
• PubChem CID: 5575839

CALCULATED PROPERTIES

• LogD (pH = 5.5): 5.490158
• LogD (pH = 7.4): 5.4614244
• Log P: 5.490537
• Molar Refractivity: 110.3465 cm^3
• Polarizability: 41.510082 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• Acid pKa: 8.5553
• H Acceptors: 4
• H Donor: 1

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds