5,8-dihydronaphthalen-1-ol

• ChemBase ID: 167682
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: c1ccc2c(c1O)CC=CC2
• Canonical SMILES: Oc1cccc2c1CC=CC2
• InChI: InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
• InChIKey: OAHLLHJOPUWLKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dihydronaphthalen-1-ol
• IUPAC Traditional name: 5,8-dihydronaphthalen-1-ol
• Synonyms: 5,8-Dihydronaphthalen-1-ol; 5-Hydroxy-1,4-dihydronaphthalene; NSC 125584; 5,8-Dihydro-1-naphthol (90%); 5,8-Dihydro-1-naphthol

Database IDs

• CAS Number: 27673-48-9
• PubChem SID: 162261815
• PubChem CID: 97466

CALCULATED PROPERTIES

• Acid pKa: 9.250212
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7599363
• LogD (pH = 7.4): 2.7539613
• Log P: 2.760013
• Molar Refractivity: 46.6377 cm^3
• Polarizability: 17.342356 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Methanol
• Apperance: Dark Brown Solid
• Melting Point: 56-60°C

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - D449375

Nadolol intermediate.

REFERENCES

• Lacroix, P., et al.: J. Pharm. Biomed. Anal., 10, 917 (1992)
• Lee, S., et al.: J. Food Sci., 72, S497 (1992)