4-(3-hydroxydecyl)phenol

• ChemBase ID: 306180
• Molecular Formular: C16H26O2
• Molecular Mass: 250.37644
• Monoisotopic Mass: 250.19328007
• SMILES: c1c(ccc(c1)CCC(CCCCCCC)O)O
• Canonical SMILES: CCCCCCCC(CCc1ccc(cc1)O)O
• InChI: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h9-10,12-13,15,17-18H,2-8,11H2,1H3
• InChIKey: JIHYSGCCXCOOQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-hydroxydecyl)phenol
• IUPAC Traditional name: 4-(3-hydroxydecyl)phenol
• Synonyms: BBP02945

CALCULATED PROPERTIES

• Acid pKa: 10.296042
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.7974944
• LogD (pH = 7.4): 4.796953
• Log P: 4.7975016
• Molar Refractivity: 76.1586 cm^3
• Polarizability: 29.903547 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder