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

• ChemBase ID: 248345
• Molecular Formular: C15H20O4
• Molecular Mass: 264.3169
• Monoisotopic Mass: 264.13615912
• SMILES: C12(OCCO1)CCC(c1ccc(cc1)OC)(CC2)O
• Canonical SMILES: COc1ccc(cc1)C1(O)CCC2(CC1)OCCO2
• InChI: InChI=1S/C15H20O4/c1-17-13-4-2-12(3-5-13)14(16)6-8-15(9-7-14)18-10-11-19-15/h2-5,16H,6-11H2,1H3
• InChIKey: HZNDBUCVKYNBKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21078742
• PubChem SID: 164304255
• PubChem CID: 10934332

CALCULATED PROPERTIES

• Acid pKa: 14.070078
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8521866
• LogD (pH = 7.4): 1.8521864
• Log P: 1.8521866
• Molar Refractivity: 71.1319 cm^3
• Polarizability: 28.129248 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%