4-{3-[4-(benzyloxy)phenoxy]propoxy}benzaldehyde

• ChemBase ID: 43926
• Molecular Formular: C23H22O4
• Molecular Mass: 362.41838
• Monoisotopic Mass: 362.15180918
• SMILES: O=Cc1ccc(cc1)OCCCOc1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OCCCOc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C23H22O4/c24-17-19-7-9-21(10-8-19)25-15-4-16-26-22-11-13-23(14-12-22)27-18-20-5-2-1-3-6-20/h1-3,5-14,17H,4,15-16,18H2
• InChIKey: FSAGYYQRBXWNLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[4-(benzyloxy)phenoxy]propoxy}benzaldehyde
• IUPAC Traditional name: 4-{3-[4-(benzyloxy)phenoxy]propoxy}benzaldehyde
• Synonyms: 4-{3-[4-(benzyloxy)phenoxy]propoxy}benzenecarbaldehyde; 4-{3-[4-(Benzyloxy)phenoxy]propoxy}benzaldehyde; 4-{3-[4-(Benzyloxy)phenoxy]-propoxy}benzenecarbaldehyde

Database IDs

• CAS Number: 937602-07-8
• MDL Number: MFCD08689784
• PubChem SID: 162048689
• PubChem CID: 18526195

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.798888
• LogD (pH = 7.4): 4.798888
• Log P: 4.798888
• Molar Refractivity: 105.5986 cm^3
• Polarizability: 40.806686 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94 °C; 92-94°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%