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

• ChemBase ID: 187135
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)OC/C=C/c1ccccc1)c1ccccc1
• Canonical SMILES: O=c1oc2cc(OC/C=C/c3ccccc3)ccc2c(c1)c1ccccc1
• InChI: InChI=1S/C24H18O3/c25-24-17-22(19-11-5-2-6-12-19)21-14-13-20(16-23(21)27-24)26-15-7-10-18-8-3-1-4-9-18/h1-14,16-17H,15H2/b10-7+
• InChIKey: YFTRHTQNMNWNOI-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243045
• PubChem CID: 1757325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3932757
• LogD (pH = 7.4): 5.3932757
• Log P: 5.3932757
• Molar Refractivity: 116.4957 cm^3
• Polarizability: 40.946774 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds