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

• ChemBase ID: 194807
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: c12c(c(cc(=O)o2)c2ccccc2)ccc(c1C)OC(=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)Oc1ccc2c(c1C)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H18O5/c1-15-21(28-24(26)17-9-6-10-18(13-17)27-2)12-11-19-20(14-22(25)29-23(15)19)16-7-4-3-5-8-16/h3-14H,1-2H3
• InChIKey: OECHSQNDUCNNKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 3-methoxybenzoate
• IUPAC Traditional name: 8-methyl-2-oxo-4-phenylchromen-7-yl 3-methoxybenzoate

Database IDs

• PubChem SID: 164250717
• PubChem CID: 1662504

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2337437
• LogD (pH = 7.4): 5.2337437
• Log P: 5.2337437
• Molar Refractivity: 118.4086 cm^3
• Polarizability: 41.71443 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