(1R,2R)-2-(benzyloxy)cyclobutan-1-ol

• ChemBase ID: 246609
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: O([C@H]1[C@@H](CC1)O)Cc1ccccc1
• Canonical SMILES: O[C@@H]1CC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C11H14O2/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-,11-/m1/s1
• InChIKey: CGOHFDBJVNRTHG-GHMZBOCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(benzyloxy)cyclobutan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(benzyloxy)cyclobutan-1-ol
• Synonyms: trans-2-(benzyloxy)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD09954476
• PubChem SID: 164302519
• PubChem CID: 55266258

CALCULATED PROPERTIES

• Acid pKa: 14.379543
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6842521
• LogD (pH = 7.4): 1.6842521
• Log P: 1.6842521
• Molar Refractivity: 50.7988 cm^3
• Polarizability: 20.11228 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.416

Product Information

• Purity: 95%