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

• ChemBase ID: 87994
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: O1CCN(CC1)CCOc1cccc(c1)C(=O)OC
• Canonical SMILES: COC(=O)c1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C14H19NO4/c1-17-14(16)12-3-2-4-13(11-12)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3
• InChIKey: VOYSHDFODOJUMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[2-(morpholin-4-yl)ethoxy]benzoate
• IUPAC Traditional name: methyl 3-[2-(morpholin-4-yl)ethoxy]benzoate
• Synonyms: methyl 3-(2-morpholin-4-ylethoxy)benzoate; Methyl 3-(2-morpholin-4-ylethoxy)benzoate 97%

Database IDs

• CAS Number: 249937-00-6
• MDL Number: MFCD08060518
• PubChem SID: 162075034
• PubChem CID: 7164628

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6081232
• LogD (pH = 7.4): 1.5711848
• Log P: 1.6191956
• Molar Refractivity: 71.6401 cm^3
• Polarizability: 27.977194 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%