5-(benzyloxy)pentan-2-ol

• ChemBase ID: 273148
• Molecular Formular: C12H18O2
• Molecular Mass: 194.27012
• Monoisotopic Mass: 194.13067982
• SMILES: c1(COCCCC(O)C)ccccc1
• Canonical SMILES: CC(CCCOCc1ccccc1)O
• InChI: InChI=1S/C12H18O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
• InChIKey: MQAOYJYQYFYYIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)pentan-2-ol
• IUPAC Traditional name: 5-(benzyloxy)pentan-2-ol
• Synonyms: 5-(benzyloxy)pentan-2-ol

Database IDs

• MDL Number: MFCD16146675
• PubChem SID: 164329058
• PubChem CID: 11745530

CALCULATED PROPERTIES

• Acid pKa: 15.660288
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.152818
• LogD (pH = 7.4): 2.152818
• Log P: 2.152818
• Molar Refractivity: 57.8462 cm^3
• Polarizability: 22.688524 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.709

Product Information

• Purity: 95%