2-[(naphthalen-2-yloxy)methyl]oxirane

• ChemBase ID: 120604
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: O1C(C1)COc1cc2c(cc1)cccc2
• Canonical SMILES: c1ccc2c(c1)cc(cc2)OCC1CO1
• InChI: InChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2
• InChIKey: BKYSFVJCBRHGMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(naphthalen-2-yloxy)methyl]oxirane
• IUPAC Traditional name: 2-[(naphthalen-2-yloxy)methyl]oxirane
• Synonyms: 2-((naphthalen-2-yloxy)methyl)oxirane; 2-[(2-naphthyloxy)methyl]oxirane

Database IDs

• CAS Number: 5234-06-0
• MDL Number: MFCD00450019
• PubChem SID: 162214957
• PubChem CID: 92995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.646318
• LogD (pH = 7.4): 2.646318
• Log P: 2.646318
• Molar Refractivity: 57.7161 cm^3
• Polarizability: 24.037598 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 2.802

Product Information

• Purity: 95%