3-(4-methoxyphenyl)morpholine

• ChemBase ID: 804245
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(ccc(cc1)C1COCCN1)OC
• Canonical SMILES: COc1ccc(cc1)C1NCCOC1
• InChI: InChI=1S/C11H15NO2/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11/h2-5,11-12H,6-8H2,1H3
• InChIKey: BMCOYPKKBOYPHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)morpholine
• IUPAC Traditional name: 3-(4-methoxyphenyl)morpholine
• Synonyms: 1-METHOXY-4-MORPHOLIN-3-YLBENZENE

Database IDs

• CAS Number: 1017481-31-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0244669
• LogD (pH = 7.4): 0.6825923
• Log P: 1.21519
• Molar Refractivity: 54.5139 cm^3
• Polarizability: 21.695614 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%