5-methoxy-2-(methoxymethoxy)benzaldehyde

• ChemBase ID: 241713
• Molecular Formular: C10H12O4
• Molecular Mass: 196.19988
• Monoisotopic Mass: 196.07355886
• SMILES: c1(c(ccc(c1)OC)OCOC)C=O
• Canonical SMILES: COCOc1ccc(cc1C=O)OC
• InChI: InChI=1S/C10H12O4/c1-12-7-14-10-4-3-9(13-2)5-8(10)6-11/h3-6H,7H2,1-2H3
• InChIKey: WSMHWPOBGUNBJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(methoxymethoxy)benzaldehyde
• IUPAC Traditional name: 5-methoxy-2-(methoxymethoxy)benzaldehyde
• Synonyms: 5-methoxy-2-(methoxymethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD21195359
• PubChem SID: 164297623
• PubChem CID: 11435522

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.433531
• LogD (pH = 7.4): 1.433531
• Log P: 1.433531
• Molar Refractivity: 51.4214 cm^3
• Polarizability: 19.821962 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.306

Product Information

• Purity: 95%