3-(3-methoxypropoxy)benzaldehyde

• ChemBase ID: 265585
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: O=Cc1cc(OCCCOC)ccc1
• Canonical SMILES: COCCCOc1cccc(c1)C=O
• InChI: InChI=1S/C11H14O3/c1-13-6-3-7-14-11-5-2-4-10(8-11)9-12/h2,4-5,8-9H,3,6-7H2,1H3
• InChIKey: FBINSGQXGIWVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12798838
• PubChem SID: 164321495
• PubChem CID: 47002460

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5410612
• LogD (pH = 7.4): 1.5410612
• Log P: 1.5410612
• Molar Refractivity: 55.0141 cm^3
• Polarizability: 20.957254 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.052

Product Information

• Purity: 95%