4-[(4-methoxyphenyl)amino]oxolan-3-ol

• ChemBase ID: 797615
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: O1CC(C(C1)Nc1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)NC1COCC1O
• InChI: InChI=1S/C11H15NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h2-5,10-13H,6-7H2,1H3
• InChIKey: MQTIBINNRCLVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methoxyphenyl)amino]oxolan-3-ol
• IUPAC Traditional name: 4-[(4-methoxyphenyl)amino]oxolan-3-ol
• Synonyms: 4-((4-Methoxyphenyl)aMino)tetrahydrofuran-3-ol

Database IDs

• CAS Number: 1178131-96-8

CALCULATED PROPERTIES

• Acid pKa: 13.740244
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4786102
• LogD (pH = 7.4): 0.49901763
• Log P: 0.49928436
• Molar Refractivity: 57.4222 cm^3
• Polarizability: 21.947784 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%