2-methyl-4-phenoxybenzaldehyde

• ChemBase ID: 180261
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1(c(ccc(c1)Oc1ccccc1)C=O)C
• Canonical SMILES: O=Cc1ccc(cc1C)Oc1ccccc1
• InChI: InChI=1S/C14H12O2/c1-11-9-14(8-7-12(11)10-15)16-13-5-3-2-4-6-13/h2-10H,1H3
• InChIKey: WCSJFPSCOWYPRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-phenoxybenzaldehyde
• IUPAC Traditional name: 2-methyl-4-phenoxybenzaldehyde
• Synonyms: 2-methyl-4-phenoxybenzaldehyde

Database IDs

• CAS Number: 57830-12-3
• PubChem SID: 164236171
• PubChem CID: 53442074

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: 24.325937 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true