9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate

• ChemBase ID: 245394
• Molecular Formular: C22H19NO3
• Molecular Mass: 345.39116
• Monoisotopic Mass: 345.13649347
• SMILES: C1(c2c(c3c1cccc3)cccc2)COC(=O)Nc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C22H19NO3/c24-13-15-9-11-16(12-10-15)23-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21,24H,13-14H2,(H,23,25)
• InChIKey: AMCNVVZGRKIDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate
• Synonyms: 9H-fluoren-9-ylmethyl N-[4-(hydroxymethyl)phenyl]carbamate

Database IDs

• MDL Number: MFCD04974272
• PubChem SID: 164301304
• PubChem CID: 64795261

CALCULATED PROPERTIES

• Acid pKa: 13.02857
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.2487884
• LogD (pH = 7.4): 4.2487874
• Log P: 4.2487884
• Molar Refractivity: 102.3729 cm^3
• Polarizability: 40.03183 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.094

Product Information

• Purity: 95%