5-ethyl-2-methoxybenzaldehyde

• ChemBase ID: 50139
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1(c(ccc(c1)CC)OC)C=O
• Canonical SMILES: O=Cc1cc(CC)ccc1OC
• InChI: InChI=1S/C10H12O2/c1-3-8-4-5-10(12-2)9(6-8)7-11/h4-7H,3H2,1-2H3
• InChIKey: FPVAAACXONVFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-methoxybenzaldehyde
• IUPAC Traditional name: 5-ethyl-2-methoxybenzaldehyde
• Synonyms: 5-Ethyl-2-methoxybenzaldehyde

Database IDs

• MDL Number: MFCD06247461
• PubChem SID: 162054902
• PubChem CID: 10397129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.486067
• LogD (pH = 7.4): 2.486067
• Log P: 2.486067
• Molar Refractivity: 48.7474 cm^3
• Polarizability: 18.34364 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false