3-(2-methylphenyl)pyrrolidin-3-ol

• ChemBase ID: 307383
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(c2c(C)cccc2)(CCNC1)O
• Canonical SMILES: Cc1ccccc1C1(O)CNCC1
• InChI: InChI=1S/C11H15NO/c1-9-4-2-3-5-10(9)11(13)6-7-12-8-11/h2-5,12-13H,6-8H2,1H3
• InChIKey: XYLQIZRZZDDGGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylphenyl)pyrrolidin-3-ol
• IUPAC Traditional name: 3-(2-methylphenyl)pyrrolidin-3-ol
• Synonyms: 3-(2-methylphenyl)pyrrolidin-3-ol

Database IDs

• CAS Number: 702630-29-3
• MDL Number: MFCD09055330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0007331
• LogD (pH = 7.4): -1.4499309
• Log P: 1.2268846
• Molar Refractivity: 53.0957 cm^3
• Polarizability: 20.881205 Å^3
• Polar Surface Area: 32.26 Å^2