2-(2-methoxy-5-methylphenyl)oxirane

• ChemBase ID: 259905
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: O1C(c2c(ccc(c2)C)OC)C1
• Canonical SMILES: COc1ccc(cc1C1CO1)C
• InChI: InChI=1S/C10H12O2/c1-7-3-4-9(11-2)8(5-7)10-6-12-10/h3-5,10H,6H2,1-2H3
• InChIKey: ZDQIYXDZTYAVFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-5-methylphenyl)oxirane
• IUPAC Traditional name: 2-(2-methoxy-5-methylphenyl)oxirane
• Synonyms: 2-(2-methoxy-5-methylphenyl)oxirane

Database IDs

• MDL Number: MFCD09727935
• PubChem SID: 164315815
• PubChem CID: 12462215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0930147
• LogD (pH = 7.4): 2.0930147
• Log P: 2.0930147
• Molar Refractivity: 46.8307 cm^3
• Polarizability: 18.247168 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.704

Product Information

• Purity: 95%