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

• ChemBase ID: 268148
• Molecular Formular: C13H14O2
• Molecular Mass: 202.24906
• Monoisotopic Mass: 202.09937969
• SMILES: c12c(OCCCO)cccc1cccc2
• Canonical SMILES: OCCCOc1cccc2c1cccc2
• InChI: InChI=1S/C13H14O2/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2
• InChIKey: VYNCQICJXQWJRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11614051
• PubChem SID: 164324058
• PubChem CID: 254516

CALCULATED PROPERTIES

• Acid pKa: 15.898743
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.174909
• LogD (pH = 7.4): 2.174909
• Log P: 2.174909
• Molar Refractivity: 60.1291 cm^3
• Polarizability: 24.708595 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 2.756

Product Information

• Purity: 95%