1-(anthracen-2-yl)ethan-1-ol

• ChemBase ID: 160728
• Molecular Formular: C16H14O
• Molecular Mass: 222.28176
• Monoisotopic Mass: 222.10446507
• SMILES: c1ccc2c(c1)cc1c(c2)ccc(c1)C(O)C
• Canonical SMILES: CC(c1ccc2c(c1)cc1c(c2)cccc1)O
• InChI: InChI=1S/C16H14O/c1-11(17)12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11,17H,1H3
• InChIKey: YVHJEBTVAVRWIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(anthracen-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(anthracen-2-yl)ethanol
• Synonyms: 1-(2-Anthryl)ethanol; rac-1-Anthracen-2-yl-ethanol

Database IDs

• CAS Number: 22371-34-2
• PubChem SID: 162254863
• PubChem CID: 4143652

CALCULATED PROPERTIES

• Acid pKa: 14.757459
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6014247
• LogD (pH = 7.4): 3.6014245
• Log P: 3.6014247
• Molar Refractivity: 70.1931 cm^3
• Polarizability: 29.902147 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Benzene; Ethanol
• Apperance: Yellow Powder
• Melting Point: 162-163°C