propan-2-yl 2-{[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}acetate

• ChemBase ID: 197071
• Molecular Formular: C19H22O7
• Molecular Mass: 362.37378
• Monoisotopic Mass: 362.13655304
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)OC(C)C)C)CC(=O)OC
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCC(=O)OC(C)C
• InChI: InChI=1S/C19H22O7/c1-10(2)25-17(21)9-24-15-7-6-13-11(3)14(8-16(20)23-5)19(22)26-18(13)12(15)4/h6-7,10H,8-9H2,1-5H3
• InChIKey: UZEUJXJWYKBWES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-{[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}acetate
• IUPAC Traditional name: isopropyl 2-{[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxy}acetate

Database IDs

• PubChem SID: 164252981
• PubChem CID: 1750304

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5015361
• LogD (pH = 7.4): 2.5015361
• Log P: 2.5015361
• Molar Refractivity: 92.7487 cm^3
• Polarizability: 36.315453 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds