4-(benzyloxy)naphthalene-2-carbaldehyde

• ChemBase ID: 244444
• Molecular Formular: C18H14O2
• Molecular Mass: 262.30256
• Monoisotopic Mass: 262.09937969
• SMILES: c1(c2c(cc(c1)C=O)cccc2)OCc1ccccc1
• Canonical SMILES: O=Cc1cc(OCc2ccccc2)c2c(c1)cccc2
• InChI: InChI=1S/C18H14O2/c19-12-15-10-16-8-4-5-9-17(16)18(11-15)20-13-14-6-2-1-3-7-14/h1-12H,13H2
• InChIKey: BIQRGAYGWFPENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)naphthalene-2-carbaldehyde
• IUPAC Traditional name: 4-(benzyloxy)naphthalene-2-carbaldehyde
• Synonyms: 4-(benzyloxy)naphthalene-2-carbaldehyde

Database IDs

• MDL Number: MFCD18378314
• PubChem SID: 164300354
• PubChem CID: 71757507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.242027
• LogD (pH = 7.4): 4.242027
• Log P: 4.242027
• Molar Refractivity: 80.168 cm^3
• Polarizability: 31.928461 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.721

Product Information

• Purity: 95%