4-(cyclopentyloxy)phenol

• ChemBase ID: 265283
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: O(c1ccc(cc1)O)C1CCCC1
• Canonical SMILES: Oc1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C11H14O2/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10,12H,1-4H2
• InChIKey: UIAXNHPMQPVTAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)phenol
• IUPAC Traditional name: 4-(cyclopentyloxy)phenol
• Synonyms: 4-(cyclopentyloxy)phenol

Database IDs

• MDL Number: MFCD11181722
• PubChem SID: 164321193
• PubChem CID: 20585832

CALCULATED PROPERTIES

• Acid pKa: 9.919453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8666947
• LogD (pH = 7.4): 2.865407
• Log P: 2.8667111
• Molar Refractivity: 50.9153 cm^3
• Polarizability: 20.084728 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): 3.046

Product Information

• Purity: 95%