2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl 3-methoxybenzoate

• ChemBase ID: 197995
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: c1(c(=O)c2c(oc1C)cc(OC(=O)c1cc(OC)ccc1)cc2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C24H18O5/c1-15-22(16-7-4-3-5-8-16)23(25)20-12-11-19(14-21(20)28-15)29-24(26)17-9-6-10-18(13-17)27-2/h3-14H,1-2H3
• InChIKey: IFVHPEOKWFQWJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl 3-methoxybenzoate
• IUPAC Traditional name: 2-methyl-4-oxo-3-phenylchromen-7-yl 3-methoxybenzoate

Database IDs

• PubChem SID: 164253905
• PubChem CID: 1522884

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.043405
• LogD (pH = 7.4): 5.043405
• Log P: 5.043405
• Molar Refractivity: 109.8254 cm^3
• Polarizability: 41.77398 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds