3-methoxy-2-[2-(morpholin-4-yl)ethoxy]benzaldehyde

• ChemBase ID: 18749
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: c1(c(C=O)cccc1OC)OCCN1CCOCC1
• Canonical SMILES: COc1cccc(c1OCCN1CCOCC1)C=O
• InChI: InChI=1S/C14H19NO4/c1-17-13-4-2-3-12(11-16)14(13)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3
• InChIKey: WWOLOKZLMZZKJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-[2-(morpholin-4-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 3-methoxy-2-[2-(morpholin-4-yl)ethoxy]benzaldehyde
• Synonyms: 3-methoxy-2-[2-(4-morpholinyl)ethoxy]benzaldehyde; 3-Methoxy-2-(2-morpholin-4-yl-ethoxy)-benzaldehyde

Database IDs

• CAS Number: 883546-13-2
• MDL Number: MFCD08146601
• PubChem SID: 160982056
• PubChem CID: 6504231

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9108005
• LogD (pH = 7.4): 1.1660955
• Log P: 1.1705498
• Molar Refractivity: 72.662 cm^3
• Polarizability: 27.973465 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false