4-[9-(4-hydroxy-3-methylphenyl)-9H-fluoren-9-yl]-2-methylphenol

• ChemBase ID: 797202
• Molecular Formular: C27H22O2
• Molecular Mass: 378.46238
• Monoisotopic Mass: 378.16197994
• SMILES: C1(c2ccccc2c2ccccc12)(c1cc(c(cc1)O)C)c1cc(c(cc1)O)C
• Canonical SMILES: Cc1cc(ccc1O)C1(c2ccc(c(c2)C)O)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
• InChIKey: NUDSREQIJYWLRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[9-(4-hydroxy-3-methylphenyl)-9H-fluoren-9-yl]-2-methylphenol
• IUPAC Traditional name: 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
• Synonyms: 4,4'-(9H-Fluorene-9,9-diyl)bis(2-Methylphenol)

Database IDs

• CAS Number: 88938-12-9

CALCULATED PROPERTIES

• Acid pKa: 9.931922
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 7.0133896
• LogD (pH = 7.4): 7.012138
• Log P: 7.013406
• Molar Refractivity: 118.1313 cm^3
• Polarizability: 46.353825 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%