4-methoxy-3-(3-methoxypropoxy)benzaldehyde

• ChemBase ID: 266090
• Molecular Formular: C12H16O4
• Molecular Mass: 224.25304
• Monoisotopic Mass: 224.10485899
• SMILES: c1(c(ccc(c1)C=O)OC)OCCCOC
• Canonical SMILES: COc1ccc(cc1OCCCOC)C=O
• InChI: InChI=1S/C12H16O4/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8-9H,3,6-7H2,1-2H3
• InChIKey: RBSXHAWCVPPVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(3-methoxypropoxy)benzaldehyde
• IUPAC Traditional name: 4-methoxy-3-(3-methoxypropoxy)benzaldehyde
• Synonyms: 4-methoxy-3-(3-methoxypropoxy)benzaldehyde

Database IDs

• MDL Number: MFCD11113215
• PubChem SID: 164322000
• PubChem CID: 11218358

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3833898
• LogD (pH = 7.4): 1.3833898
• Log P: 1.3833898
• Molar Refractivity: 61.4773 cm^3
• Polarizability: 23.490479 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.723

Product Information

• Purity: 95%