(4-methoxyphenyl)(pyrrolidin-2-yl)methanol

• ChemBase ID: 241721
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1C(C(c2ccc(cc2)OC)O)CCC1
• Canonical SMILES: COc1ccc(cc1)C(C1CCCN1)O
• InChI: InChI=1S/C12H17NO2/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11/h4-7,11-14H,2-3,8H2,1H3
• InChIKey: CPOJMIWZUKSHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(pyrrolidin-2-yl)methanol
• IUPAC Traditional name: (4-methoxyphenyl)(pyrrolidin-2-yl)methanol
• Synonyms: (4-methoxyphenyl)(pyrrolidin-2-yl)methanol

Database IDs

• MDL Number: MFCD07390357
• PubChem SID: 164297631
• PubChem CID: 14320508

CALCULATED PROPERTIES

• Acid pKa: 13.889043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0239217
• LogD (pH = 7.4): -1.6093317
• Log P: 1.2091529
• Molar Refractivity: 58.9429 cm^3
• Polarizability: 23.46351 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.19

Product Information

• Purity: 95%