{4,8-dimethyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol

• ChemBase ID: 185493
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c12c(c(nc3c1cc(cc3)C)C)CC(O2)CO
• Canonical SMILES: Cc1nc2ccc(cc2c2c1CC(O2)CO)C
• InChI: InChI=1S/C14H15NO2/c1-8-3-4-13-12(5-8)14-11(9(2)15-13)6-10(7-16)17-14/h3-5,10,16H,6-7H2,1-2H3
• InChIKey: JYADFPJSAPOQJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4,8-dimethyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol
• IUPAC Traditional name: {4,8-dimethyl-2H,3H-furo[3,2-c]quinolin-2-yl}methanol

Database IDs

• PubChem SID: 164241403
• PubChem CID: 615269

CALCULATED PROPERTIES

• Acid pKa: 14.64723
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7679894
• LogD (pH = 7.4): 1.9151
• Log P: 2.0275743
• Molar Refractivity: 65.3473 cm^3
• Polarizability: 26.491133 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds