4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde

• ChemBase ID: 311595
• Molecular Formular: C12H16O2
• Molecular Mass: 192.25424
• Monoisotopic Mass: 192.11502975
• SMILES: c1(cc(c(cc1OC)C)C=O)C(C)C
• Canonical SMILES: COc1cc(C)c(cc1C(C)C)C=O
• InChI: InChI=1S/C12H16O2/c1-8(2)11-6-10(7-13)9(3)5-12(11)14-4/h5-8H,1-4H3
• InChIKey: UREBGRBNUQCTAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde
• IUPAC Traditional name: 5-isopropyl-4-methoxy-2-methylbenzaldehyde
• Synonyms: 5-isopropyl-4-methoxy-2-methylbenzaldehyde

Database IDs

• CAS Number: 105337-42-6
• MDL Number: MFCD02629380

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2865074
• LogD (pH = 7.4): 3.2865074
• Log P: 3.2865074
• Molar Refractivity: 58.3372 cm^3
• Polarizability: 21.950615 Å^3
• Polar Surface Area: 26.3 Å^2