1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-ol

• ChemBase ID: 247399
• Molecular Formular: C15H22O
• Molecular Mass: 218.33458
• Monoisotopic Mass: 218.16706532
• SMILES: C1(c2c(CCC1)cccc2)CC(O)CCC
• Canonical SMILES: CCCC(CC1CCCc2c1cccc2)O
• InChI: InChI=1S/C15H22O/c1-2-6-14(16)11-13-9-5-8-12-7-3-4-10-15(12)13/h3-4,7,10,13-14,16H,2,5-6,8-9,11H2,1H3
• InChIKey: NQPFAVCGSKZBIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-ol
• IUPAC Traditional name: 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-ol
• Synonyms: 1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-ol

Database IDs

• MDL Number: MFCD18878494
• PubChem SID: 164303309
• PubChem CID: 63772308

CALCULATED PROPERTIES

• Acid pKa: 15.242118
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1040754
• LogD (pH = 7.4): 4.1040754
• Log P: 4.1040754
• Molar Refractivity: 68.1623 cm^3
• Polarizability: 26.668205 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.142

Product Information

• Purity: 95%