benzyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

• ChemBase ID: 189510
• Molecular Formular: C24H18O5
• Molecular Mass: 386.39672
• Monoisotopic Mass: 386.11542368
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)OCc1ccccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C24H18O5/c25-23-14-21(18-9-5-2-6-10-18)20-12-11-19(13-22(20)29-23)27-16-24(26)28-15-17-7-3-1-4-8-17/h1-14H,15-16H2
• InChIKey: YARKCZSWXYZKPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate
• IUPAC Traditional name: benzyl 2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetate

Database IDs

• PubChem SID: 164245420
• PubChem CID: 1181921

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4072375
• LogD (pH = 7.4): 4.4072375
• Log P: 4.4072375
• Molar Refractivity: 117.0308 cm^3
• Polarizability: 41.83596 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds