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

• ChemBase ID: 25915
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: c1(c(ccc(c1)C=O)OC)OCCN1CCOCC1
• Canonical SMILES: COc1ccc(cc1OCCN1CCOCC1)C=O
• InChI: InChI=1S/C14H19NO4/c1-17-13-3-2-12(11-16)10-14(13)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3
• InChIKey: PPGOJWNQUOMSLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 186191-09-3
• MDL Number: MFCD02257678
• PubChem SID: 160989222
• PubChem CID: 3251033

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8822999
• LogD (pH = 7.4): 1.1654282
• Log P: 1.1705498
• Molar Refractivity: 72.662 cm^3
• Polarizability: 27.970985 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