3-methyl-4-phenoxybenzaldehyde

• ChemBase ID: 273803
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(c(cc(C=O)cc1)C)Oc1ccccc1
• Canonical SMILES: O=Cc1ccc(c(c1)C)Oc1ccccc1
• InChI: InChI=1S/C14H12O2/c1-11-9-12(10-15)7-8-14(11)16-13-5-3-2-4-6-13/h2-10H,1H3
• InChIKey: KDBKPCXRRZVODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-phenoxybenzaldehyde
• IUPAC Traditional name: 3-methyl-4-phenoxybenzaldehyde
• Synonyms: 3-methyl-4-phenoxybenzaldehyde

Database IDs

• MDL Number: MFCD16717339
• PubChem SID: 164329713
• PubChem CID: 19069422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6994567
• LogD (pH = 7.4): 3.6994567
• Log P: 3.6994567
• Molar Refractivity: 63.924 cm^3
• Polarizability: 24.32612 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.092

Product Information

• Purity: 95%