4-(3,5-dimethylphenyl)benzaldehyde

• ChemBase ID: 279366
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: c1(c2ccc(C=O)cc2)cc(cc(c1)C)C
• Canonical SMILES: O=Cc1ccc(cc1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C15H14O/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-10H,1-2H3
• InChIKey: DIEZRQJNMZQYGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethylphenyl)benzaldehyde
• IUPAC Traditional name: 4-(3,5-dimethylphenyl)benzaldehyde
• Synonyms: 4-(3,5-dimethylphenyl)benzaldehyde

Database IDs

• MDL Number: MFCD06201225
• PubChem SID: 164335276
• PubChem CID: 2758602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.359816
• LogD (pH = 7.4): 4.359816
• Log P: 4.359816
• Molar Refractivity: 67.8606 cm^3
• Polarizability: 26.825354 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.381

Product Information

• Purity: 95%