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

• ChemBase ID: 101249
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: N1(CCOc2c(CO)cccc2)CCOCC1
• Canonical SMILES: OCc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C13H19NO3/c15-11-12-3-1-2-4-13(12)17-10-7-14-5-8-16-9-6-14/h1-4,15H,5-11H2
• InChIKey: MJDMCSJTOOAYPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 106276-04-4
• MDL Number: MFCD07772843
• PubChem SID: 162086745
• PubChem CID: 7164615

CALCULATED PROPERTIES

• Acid pKa: 14.705743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.22248104
• LogD (pH = 7.4): 0.79296464
• Log P: 0.8483689
• Molar Refractivity: 66.4307 cm^3
• Polarizability: 25.999279 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%