9,9-dimethyl-9H-fluorene-2,7-diol

• ChemBase ID: 287034
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: Oc1cc2C(C)(C)c3c(ccc(O)c3)c2cc1
• Canonical SMILES: Oc1ccc2c(c1)C(C)(C)c1c2ccc(c1)O
• InChI: InChI=1S/C15H14O2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8,16-17H,1-2H3
• InChIKey: UKXBEJOAGBKZHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dimethyl-9H-fluorene-2,7-diol
• IUPAC Traditional name: 9,9-dimethylfluorene-2,7-diol
• Synonyms: 9,9-Dimethyl-9H-fluorene-2,7-diol

Database IDs

• CAS Number: 221010-68-0
• PubChem SID: 180672565
• PubChem CID: 27282119

CALCULATED PROPERTIES

• Acid pKa: 9.620502
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7189221
• LogD (pH = 7.4): 3.716361
• Log P: 3.718955
• Molar Refractivity: 78.3533 cm^3
• Polarizability: 27.241047 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%