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

• ChemBase ID: 190805
• Molecular Formular: C23H17NO3
• Molecular Mass: 355.38598
• Monoisotopic Mass: 355.12084341
• SMILES: c1(c(=O)oc2c(c1)ccc(c2)OC/C=C/c1ccccc1)c1ncccc1
• Canonical SMILES: O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1c1ccccn1
• InChI: InChI=1S/C23H17NO3/c25-23-20(21-10-4-5-13-24-21)15-18-11-12-19(16-22(18)27-23)26-14-6-9-17-7-2-1-3-8-17/h1-13,15-16H,14H2/b9-6+
• InChIKey: SXIUVKCIPXGESL-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246715
• PubChem CID: 1584786

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7954154
• LogD (pH = 7.4): 4.796331
• Log P: 4.796343
• Molar Refractivity: 104.8662 cm^3
• Polarizability: 40.104393 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds