4-[3-methoxy-4-(propan-2-yloxy)phenyl]-7-methyl-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione

• ChemBase ID: 227960
• Molecular Formular: C19H21NO5
• Molecular Mass: 343.37374
• Monoisotopic Mass: 343.14197278
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1cc(c(OC(C)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC(C)C)C1CC(=O)Oc2c1c(=O)[nH]c(c2)C
• InChI: InChI=1S/C19H21NO5/c1-10(2)24-14-6-5-12(8-15(14)23-4)13-9-17(21)25-16-7-11(3)20-19(22)18(13)16/h5-8,10,13H,9H2,1-4H3,(H,20,22)
• InChIKey: WNMRVUUAZDPPNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-methoxy-4-(propan-2-yloxy)phenyl]-7-methyl-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione
• IUPAC Traditional name: 4-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3H,4H,6H-pyrano[3,2-c]pyridine-2,5-dione

Database IDs

• PubChem SID: 164283870
• PubChem CID: 71755080

CALCULATED PROPERTIES

• Acid pKa: 10.915855
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7974012
• LogD (pH = 7.4): 1.7972853
• Log P: 1.7974026
• Molar Refractivity: 94.2264 cm^3
• Polarizability: 35.676517 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds