(1S)-1-(9H-fluoren-9-yl)ethan-1-ol

• ChemBase ID: 157144
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: C[C@@H](C1c2ccccc2c2c1cccc2)O
• Canonical SMILES: C[C@@H](C1c2ccccc2c2c1cccc2)O
• InChI: InChI=1S/C15H14O/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10,15-16H,1H3/t10-/m0/s1
• InChIKey: YSCDFPXLCCWBIS-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(9H-fluoren-9-yl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(9H-fluoren-9-yl)ethanol
• Synonyms: (S)-(-)-1-(9-Fluorenyl)ethanol; (S)-(-)-1-(9-芴)乙醇

Database IDs

• CAS Number: 151775-20-1
• PubChem SID: 162251281; 24845105
• PubChem CID: 16211013

CALCULATED PROPERTIES

• Acid pKa: 15.024934
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0838885
• LogD (pH = 7.4): 3.0838885
• Log P: 3.0838885
• Molar Refractivity: 65.6925 cm^3
• Polarizability: 26.72647 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (HPLC)
• Optical Purity: enantiomeric ratio: 99.5:0.5 (HPLC)
• Empirical Formula (Hill Notation): C15H14O