(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-ol

• ChemBase ID: 280744
• Molecular Formular: C12H16O
• Molecular Mass: 176.25484
• Monoisotopic Mass: 176.12011513
• SMILES: c1c(ccc2c1CCCC2)[C@@H](O)C
• Canonical SMILES: C[C@@H](c1ccc2c(c1)CCCC2)O
• InChI: InChI=1S/C12H16O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9,13H,2-5H2,1H3/t9-/m0/s1
• InChIKey: ZZAIKACKOJSLBZ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
• Synonyms: (1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

Database IDs

• MDL Number: MFCD09863779
• PubChem SID: 180666275
• PubChem CID: 25324434

CALCULATED PROPERTIES

• Acid pKa: 14.856561
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0747254
• LogD (pH = 7.4): 3.0747252
• Log P: 3.0747254
• Molar Refractivity: 54.7749 cm^3
• Polarizability: 21.12345 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.985

Product Information

• Purity: 95%