2-(3-methylbut-2-en-1-yl)naphthalen-1-ol

• ChemBase ID: 305269
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: c12c(c(c(cc1)CC=C(C)C)O)cccc2
• Canonical SMILES: CC(=CCc1ccc2c(c1O)cccc2)C
• InChI: InChI=1S/C15H16O/c1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)15(13)16/h3-7,9-10,16H,8H2,1-2H3
• InChIKey: UEMWMIJHPZVYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbut-2-en-1-yl)naphthalen-1-ol
• IUPAC Traditional name: 2-(3-methylbut-2-en-1-yl)naphthalen-1-ol
• Synonyms: NPD; 1-Hydroxy-2-prenylnaphthalene

Database IDs

• CAS Number: 16274-34-3

CALCULATED PROPERTIES

• Acid pKa: 8.922326
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3875613
• LogD (pH = 7.4): 4.3749537
• Log P: 4.3877244
• Molar Refractivity: 68.7319 cm^3
• Polarizability: 27.5515 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow oil