4-ethyl-1,2-dimethoxybenzene

• ChemBase ID: 293969
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: COc1cc(CC)ccc1OC
• Canonical SMILES: COc1cc(CC)ccc1OC
• InChI: InChI=1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3
• InChIKey: NEBQMYHKOREVAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,2-dimethoxybenzene
• IUPAC Traditional name: 4-ethyl-1,2-dimethoxybenzene
• Synonyms: 4-Ethyl-1,2-dimethoxybenzene

Database IDs

• CAS Number: 5888-51-7
• PubChem SID: 180679500
• PubChem CID: 79990

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6158934
• LogD (pH = 7.4): 2.6158934
• Log P: 2.6158934
• Molar Refractivity: 48.6266 cm^3
• Polarizability: 18.968952 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%