2-(4-methylphenoxymethyl)oxirane

• ChemBase ID: 234217
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: O1C(C1)COc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)OCC1OC1
• InChI: InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3
• InChIKey: CUFXMPWHOWYNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenoxymethyl)oxirane; 2-[(4-methylphenoxy)methyl]oxirane
• IUPAC Traditional name: cresyl glycidyl ether
• Synonyms: 2-[(4-methylphenoxy)methyl]oxirane; 2-p-Tolyloxymethyl-oxirane

Database IDs

• CAS Number: 2186-24-5
• MDL Number: MFCD00046991
• PubChem SID: 164290127
• PubChem CID: 16606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1702626
• LogD (pH = 7.4): 2.1702626
• Log P: 2.1702626
• Molar Refractivity: 46.3071 cm^3
• Polarizability: 18.25398 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.127

Product Information

• Purity: 95%; 96%