4-(benzyloxy)-2-methylbenzaldehyde

• ChemBase ID: 180063
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: C(=O)c1c(cc(cc1)OCc1ccccc1)C
• Canonical SMILES: O=Cc1ccc(cc1C)OCc1ccccc1
• InChI: InChI=1S/C15H14O2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
• InChIKey: OGVPJBJWJCZBTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-2-methylbenzaldehyde
• IUPAC Traditional name: 4-(benzyloxy)-2-methylbenzaldehyde
• Synonyms: 2-Methyl-4-benzyloxybenzaldehyde; 4-Benzyloxy-2-methyl-benzaldehyde

Database IDs

• CAS Number: 101093-56-5
• PubChem SID: 164235973
• PubChem CID: 2759806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7659714
• LogD (pH = 7.4): 3.7659714
• Log P: 3.7659714
• Molar Refractivity: 68.759 cm^3
• Polarizability: 26.108522 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%