7-pentyl-9H-fluoren-2-ol

• ChemBase ID: 79641
• Molecular Formular: C18H20O
• Molecular Mass: 252.3508
• Monoisotopic Mass: 252.15141526
• SMILES: Oc1cc2c(cc1)c1c(cc(cc1)CCCCC)C2
• Canonical SMILES: CCCCCc1ccc2c(c1)Cc1c2ccc(c1)O
• InChI: InChI=1S/C18H20O/c1-2-3-4-5-13-6-8-17-14(10-13)11-15-12-16(19)7-9-18(15)17/h6-10,12,19H,2-5,11H2,1H3
• InChIKey: KVLMFEDZEZXVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-pentyl-9H-fluoren-2-ol
• IUPAC Traditional name: 7-pentyl-9H-fluoren-2-ol
• Synonyms: 7-pentyl-9H-fluoren-2-ol

Database IDs

• MDL Number: MFCD00114640
• PubChem SID: 162044404
• PubChem CID: 2775279

CALCULATED PROPERTIES

• Acid pKa: 9.945
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7271347
• LogD (pH = 7.4): 5.725921
• Log P: 5.72715
• Molar Refractivity: 80.2995 cm^3
• Polarizability: 32.166466 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false