2-(3,4-dimethylphenyl)oxirane

• ChemBase ID: 263736
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: O1C(C1)c1cc(c(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1C)C1CO1
• InChI: InChI=1S/C10H12O/c1-7-3-4-9(5-8(7)2)10-6-11-10/h3-5,10H,6H2,1-2H3
• InChIKey: GMFDVHPDGHUBBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethylphenyl)oxirane
• IUPAC Traditional name: 2-(3,4-dimethylphenyl)oxirane
• Synonyms: 2-(3,4-dimethylphenyl)oxirane

Database IDs

• MDL Number: MFCD01741454
• PubChem SID: 164319646
• PubChem CID: 159631

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7641075
• LogD (pH = 7.4): 2.7641075
• Log P: 2.7641075
• Molar Refractivity: 45.4087 cm^3
• Polarizability: 17.50825 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.234

Product Information

• Purity: 95%