4-bromo-2-(cyclobutoxymethyl)-1-methoxybenzene

• ChemBase ID: 237271
• Molecular Formular: C12H15BrO2
• Molecular Mass: 271.1503
• Monoisotopic Mass: 270.02554172
• SMILES: c1(c(ccc(c1)Br)OC)COC1CCC1
• Canonical SMILES: COc1ccc(cc1COC1CCC1)Br
• InChI: InChI=1S/C12H15BrO2/c1-14-12-6-5-10(13)7-9(12)8-15-11-3-2-4-11/h5-7,11H,2-4,8H2,1H3
• InChIKey: XCBBYGUVONHBCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(cyclobutoxymethyl)-1-methoxybenzene
• IUPAC Traditional name: 4-bromo-2-(cyclobutoxymethyl)-1-methoxybenzene
• Synonyms: 4-bromo-2-(cyclobutoxymethyl)-1-methoxybenzene

Database IDs

• MDL Number: MFCD16684666
• PubChem SID: 164293181
• PubChem CID: 62142176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.370237
• LogD (pH = 7.4): 3.370237
• Log P: 3.370237
• Molar Refractivity: 63.5233 cm^3
• Polarizability: 24.785126 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.635

Product Information

• Purity: 95%