9,9-bis(methoxymethyl)-9H-fluorene

• ChemBase ID: 294539
• Molecular Formular: C17H18O2
• Molecular Mass: 254.32362
• Monoisotopic Mass: 254.13067982
• SMILES: COCC1(COC)c2c(c3c1cccc3)cccc2
• Canonical SMILES: COCC1(COC)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3
• InChIKey: ZWINORFLMHROGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-bis(methoxymethyl)-9H-fluorene
• IUPAC Traditional name: 9,9-bis(methoxymethyl)fluorene
• Synonyms: 9,9-Bis(methoxymethyl)-9H-fluorene

Database IDs

• CAS Number: 182121-12-6
• MDL Number: MFCD19441380
• PubChem SID: 180680070
• PubChem CID: 11054211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0507963
• LogD (pH = 7.4): 3.0507963
• Log P: 3.0507963
• Molar Refractivity: 87.4433 cm^3
• Polarizability: 31.119673 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%