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

• ChemBase ID: 88990
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: OCc1ccc(cc1)OCCN1CCOCC1
• Canonical SMILES: OCc1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C13H19NO3/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14/h1-4,15H,5-11H2
• InChIKey: LZRLXLXSGAEQLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
• IUPAC Traditional name: {4-[2-(morpholin-4-yl)ethoxy]phenyl}methanol
• Synonyms: [4-(2-morpholin-4-ylethoxy)phenyl]methanol; {4-[2-(Morpholin-4-yl)ethoxy]phenyl}methanol; 4-[2-(Morpholin-4-yl)ethoxy]benzyl alcohol 97%

Database IDs

• CAS Number: 852180-76-8
• MDL Number: MFCD07368553
• PubChem SID: 162075876
• PubChem CID: 7060580

CALCULATED PROPERTIES

• Acid pKa: 15.021047
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.33378553
• LogD (pH = 7.4): 0.77659744
• Log P: 0.8483689
• Molar Refractivity: 66.4307 cm^3
• Polarizability: 25.99897 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%