4-(benzyloxy)-3-hydroxybenzaldehyde

• ChemBase ID: 161787
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: c1c(c(cc(c1)C=O)O)OCc1ccccc1
• Canonical SMILES: O=Cc1ccc(c(c1)O)OCc1ccccc1
• InChI: InChI=1S/C14H12O3/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
• InChIKey: HUNGEAFDVLSPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-3-hydroxybenzaldehyde
• IUPAC Traditional name: 4-(benzyloxy)-3-hydroxybenzaldehyde
• Synonyms: 3-Hydroxy-4-(phenylmethoxy)benzaldehyde; 3-Hydroxy-4-benzyloxybenzaldehyde; Protocatechuic Aldehyde-4-benzyl Ether; 4-Benzyloxy-3-hydroxybenzaldehyde; 3-HYDROXY-4-BENZYLOXY BENZALDEHYDE

Database IDs

• CAS Number: 4049-39-2
• PubChem SID: 162255922
• PubChem CID: 561369

CALCULATED PROPERTIES

• Acid pKa: 9.359289
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.948925
• LogD (pH = 7.4): 2.9442754
• Log P: 2.9489846
• Molar Refractivity: 65.6987 cm^3
• Polarizability: 24.932386 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Solid

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 98%