[2-(4-methoxybenzoyl)-7-methylfuro[2,3-c]pyridin-4-yl]methanol

• ChemBase ID: 227656
• Molecular Formular: C17H15NO4
• Molecular Mass: 297.3053
• Monoisotopic Mass: 297.10010797
• SMILES: c1(oc2c(c1)c(cnc2C)CO)C(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cc2c(o1)c(C)ncc2CO
• InChI: InChI=1S/C17H15NO4/c1-10-17-14(12(9-19)8-18-10)7-15(22-17)16(20)11-3-5-13(21-2)6-4-11/h3-8,19H,9H2,1-2H3
• InChIKey: MGSLSJSIHUOOOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxybenzoyl)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(4-methoxybenzoyl)-7-methylfuro[2,3-c]pyridin-4-yl]methanol

Database IDs

• PubChem SID: 164283566
• PubChem CID: 71754781

CALCULATED PROPERTIES

• Acid pKa: 14.845709
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4650055
• LogD (pH = 7.4): 1.4999347
• Log P: 1.5004001
• Molar Refractivity: 81.0658 cm^3
• Polarizability: 32.20385 Å^3
• Polar Surface Area: 72.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds