2-methyl-3-[2-(morpholin-4-yl)ethoxy]phenol

• ChemBase ID: 273709
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: c1(c(O)cccc1OCCN1CCOCC1)C
• Canonical SMILES: Cc1c(OCCN2CCOCC2)cccc1O
• InChI: InChI=1S/C13H19NO3/c1-11-12(15)3-2-4-13(11)17-10-7-14-5-8-16-9-6-14/h2-4,15H,5-10H2,1H3
• InChIKey: RXCXLSWBMWWULG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-[2-(morpholin-4-yl)ethoxy]phenol
• IUPAC Traditional name: 2-methyl-3-[2-(morpholin-4-yl)ethoxy]phenol
• Synonyms: 2-methyl-3-[2-(morpholin-4-yl)ethoxy]phenol

Database IDs

• MDL Number: MFCD11181602
• PubChem SID: 164329619
• PubChem CID: 43143216

CALCULATED PROPERTIES

• Acid pKa: 9.910172
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7561569
• LogD (pH = 7.4): 1.7690313
• Log P: 1.8255746
• Molar Refractivity: 66.6369 cm^3
• Polarizability: 25.915295 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 2.143

Product Information

• Purity: 95%