{3-[2-(morpholin-4-yl)ethoxy]phenyl}methanol

• ChemBase ID: 87982
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: O1CCN(CC1)CCOc1cccc(c1)CO
• Canonical SMILES: OCc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C13H19NO3/c15-11-12-2-1-3-13(10-12)17-9-6-14-4-7-16-8-5-14/h1-3,10,15H,4-9,11H2
• InChIKey: DZHYOLUKMGNRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
• IUPAC Traditional name: {3-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
• Synonyms: [3-(2-morpholinoethoxy)phenyl]methanol; [3-(2-Morpholinoethoxy)phenyl]methanol 97%

Database IDs

• CAS Number: 857284-07-2
• MDL Number: MFCD07772846
• PubChem SID: 162075022
• PubChem CID: 7164622

CALCULATED PROPERTIES

• Acid pKa: 14.939719
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.324922
• LogD (pH = 7.4): 0.7780366
• Log P: 0.8483689
• Molar Refractivity: 66.4307 cm^3
• Polarizability: 25.999008 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-58°C

Product Information

• Purity: 97%