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

• ChemBase ID: 152281
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: CC(C1c2ccccc2c2c1cccc2)O
• Canonical SMILES: CC(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
• InChIKey: YSCDFPXLCCWBIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-9-yl)ethan-1-ol
• IUPAC Traditional name: 1-(9H-fluoren-9-yl)ethanol
• Synonyms: α-Methylfluorene-9-methanol; (±)-1-(9-Fluorenyl)ethanol; α-甲基芴-9-甲醇; (±)-1-(9-芴)乙醇

Database IDs

• CAS Number: 3023-49-2
• MDL Number: MFCD00077767
• Beilstein Number: 2450427
• PubChem SID: 24870557; 162246426
• PubChem CID: 3523998

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

Physical Property

• Melting Point: 102-104 °C

Safety Information

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

Product Information

• Purity: ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C15H14O

DETAILS

Sigma Aldrich - 46910

Packaging
1 g in glass bottle