1-ethenyl-3,5-dimethoxybenzene

• ChemBase ID: 800413
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1(cc(cc(c1)C=C)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C=C
• InChI: InChI=1S/C10H12O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h4-7H,1H2,2-3H3
• InChIKey: YYDWZJCCIAMZIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-3,5-dimethoxybenzene
• IUPAC Traditional name: 1-ethenyl-3,5-dimethoxybenzene
• Synonyms: 1,3-dimethoxy-5-vinylbenzene

Database IDs

• CAS Number: 40243-87-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3946054
• LogD (pH = 7.4): 2.3946054
• Log P: 2.3946054
• Molar Refractivity: 48.6707 cm^3
• Polarizability: 18.881535 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%