8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

• ChemBase ID: 247875
• Molecular Formular: C14H17FO3
• Molecular Mass: 252.2813832
• Monoisotopic Mass: 252.11617262
• SMILES: C12(OCCO1)CCC(c1ccc(cc1)F)(CC2)O
• Canonical SMILES: OC1(CCC2(CC1)OCCO2)c1ccc(cc1)F
• InChI: InChI=1S/C14H17FO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2
• InChIKey: BBKOAONWYJVESW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
• IUPAC Traditional name: 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
• Synonyms: 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

Database IDs

• MDL Number: MFCD21078734
• PubChem SID: 164303785
• PubChem CID: 15232681

CALCULATED PROPERTIES

• Acid pKa: 14.031999
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1525598
• LogD (pH = 7.4): 2.1525598
• Log P: 2.1525598
• Molar Refractivity: 64.8851 cm^3
• Polarizability: 25.302238 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.807

Product Information

• Purity: 95%