2-[4-(propan-2-yl)phenyl]oxirane

• ChemBase ID: 259844
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: O1C(C1)c1ccc(cc1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)C1OC1)C
• InChI: InChI=1S/C11H14O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h3-6,8,11H,7H2,1-2H3
• InChIKey: NCRWHLBHMFVSFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)phenyl]oxirane
• IUPAC Traditional name: 2-(4-isopropylphenyl)oxirane
• Synonyms: 2-[4-(propan-2-yl)phenyl]oxirane

Database IDs

• MDL Number: MFCD09806447
• PubChem SID: 164315754
• PubChem CID: 15253637

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9822738
• LogD (pH = 7.4): 2.9822738
• Log P: 2.9822738
• Molar Refractivity: 49.5171 cm^3
• Polarizability: 19.432388 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.713

Product Information

• Purity: 95%