3-(naphthalen-1-yl)propan-1-ol

• ChemBase ID: 276823
• Molecular Formular: C13H14O
• Molecular Mass: 186.24966
• Monoisotopic Mass: 186.10446507
• SMILES: c12c(cccc1cccc2)CCCO
• Canonical SMILES: OCCCc1cccc2c1cccc2
• InChI: InChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2
• InChIKey: LSYAESHKCVOHFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(naphthalen-1-yl)propan-1-ol
• IUPAC Traditional name: 3-(naphthalen-1-yl)propan-1-ol
• Synonyms: 3-(naphthalen-1-yl)propan-1-ol

Database IDs

• MDL Number: MFCD09927278
• PubChem SID: 164332733
• PubChem CID: 14711518

CALCULATED PROPERTIES

• Acid pKa: 15.963355
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9286027
• LogD (pH = 7.4): 2.9286027
• Log P: 2.9286027
• Molar Refractivity: 58.6801 cm^3
• Polarizability: 24.015844 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.886

Product Information

• Purity: 95%