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

• ChemBase ID: 187032
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OC/C=C/c1ccccc1)C)c1ccccc1
• Canonical SMILES: Cc1cc(OC/C=C/c2ccccc2)c2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C25H20O3/c1-18-15-22(27-14-8-11-19-9-4-2-5-10-19)25-21(20-12-6-3-7-13-20)17-24(26)28-23(25)16-18/h2-13,15-17H,14H2,1H3/b11-8+
• InChIKey: NKBUMAALOBGJJV-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242942
• PubChem CID: 1583713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9066973
• LogD (pH = 7.4): 5.9066973
• Log P: 5.9066973
• Molar Refractivity: 121.5369 cm^3
• Polarizability: 42.71506 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