2-(phenoxymethyl)morpholine

• ChemBase ID: 811097
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C1C(OCCN1)COc1ccccc1
• Canonical SMILES: N1CCOC(C1)COc1ccccc1
• InChI: InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)14-9-11-8-12-6-7-13-11/h1-5,11-12H,6-9H2
• InChIKey: OFBLNBCFCXAZGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenoxymethyl)morpholine
• IUPAC Traditional name: 2-(phenoxymethyl)morpholine
• Synonyms: 2-PHENOXYMETHYL-MORPHOLINE

Database IDs

• CAS Number: 167273-56-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2946138
• LogD (pH = 7.4): 0.43477622
• Log P: 1.2924378
• Molar Refractivity: 53.9903 cm^3
• Polarizability: 21.701044 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%