2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide

• ChemBase ID: 191184
• Molecular Formular: C17H15NO5
• Molecular Mass: 313.3047
• Monoisotopic Mass: 313.09502259
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=O)N)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=O)N
• InChI: InChI=1S/C17H15NO5/c1-9-14(22-8-15(18)19)6-5-12-11-4-3-10(21-2)7-13(11)17(20)23-16(9)12/h3-7H,8H2,1-2H3,(H2,18,19)
• InChIKey: ZOEMLMGAPPRIJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide
• IUPAC Traditional name: 2-({8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl}oxy)acetamide

Database IDs

• PubChem SID: 164247094
• PubChem CID: 805007

CALCULATED PROPERTIES

• Acid pKa: 14.987968
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.794447
• LogD (pH = 7.4): 1.794447
• Log P: 1.794447
• Molar Refractivity: 82.8135 cm^3
• Polarizability: 32.958405 Å^3
• Polar Surface Area: 87.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds