4-(2-methoxyphenyl)morpholine

• ChemBase ID: 796669
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C1COCCN1c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1N1CCOCC1
• InChI: InChI=1S/C11H15NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
• InChIKey: VFLNKDLFYDLRAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)morpholine
• IUPAC Traditional name: 4-(2-methoxyphenyl)morpholine
• Synonyms: 4-(2-Methoxyphenyl)Morpholine

Database IDs

• CAS Number: 27347-13-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7051157
• LogD (pH = 7.4): 1.705118
• Log P: 1.705118
• Molar Refractivity: 56.0243 cm^3
• Polarizability: 21.313972 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%