[2-(pyrrolidin-1-yl)phenyl]methanol

• ChemBase ID: 101269
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1(c2c(CO)cccc2)CCCC1
• Canonical SMILES: OCc1ccccc1N1CCCC1
• InChI: InChI=1S/C11H15NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2
• InChIKey: QXIYEQQTAPJDBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)phenyl]methanol
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)phenyl]methanol
• Synonyms: (2-pyrrolidin-1-ylphenyl)methanol; [2-(pyrrolidin-1-yl)phenyl]methanol

Database IDs

• CAS Number: 73051-88-4
• MDL Number: MFCD08690257
• PubChem SID: 162086792
• PubChem CID: 13021765

CALCULATED PROPERTIES

• Acid pKa: 14.967798
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7063884
• LogD (pH = 7.4): 1.7195667
• Log P: 1.7197374
• Molar Refractivity: 54.8435 cm^3
• Polarizability: 20.56457 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.383

Product Information

• Purity: 95%