2-{[bis(4-methoxyphenyl)methoxy]methyl}oxirane

• ChemBase ID: 234393
• Molecular Formular: C18H20O4
• Molecular Mass: 300.349
• Monoisotopic Mass: 300.13615912
• SMILES: O1C(C1)COC(c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)OCC1OC1
• InChI: InChI=1S/C18H20O4/c1-19-15-7-3-13(4-8-15)18(22-12-17-11-21-17)14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3
• InChIKey: CZLZYQVLFWUWKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[bis(4-methoxyphenyl)methoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[bis(4-methoxyphenyl)methoxy]methyl}oxirane
• Synonyms: 2-{[bis(4-methoxyphenyl)methoxy]methyl}oxirane

Database IDs

• MDL Number: MFCD06357345
• PubChem SID: 164290303
• PubChem CID: 3854734

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1591868
• LogD (pH = 7.4): 3.1591868
• Log P: 3.1591868
• Molar Refractivity: 83.579 cm^3
• Polarizability: 32.96518 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Hydrophobicity(logP): 2.827

Product Information

• Purity: 95%