[3-methyl-4-(morpholin-4-yl)phenyl]methanol

• ChemBase ID: 244553
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(N2CCOCC2)c(cc(cc1)CO)C
• Canonical SMILES: OCc1ccc(c(c1)C)N1CCOCC1
• InChI: InChI=1S/C12H17NO2/c1-10-8-11(9-14)2-3-12(10)13-4-6-15-7-5-13/h2-3,8,14H,4-7,9H2,1H3
• InChIKey: ZSILPVRSVMCFGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-methyl-4-(morpholin-4-yl)phenyl]methanol
• IUPAC Traditional name: [3-methyl-4-(morpholin-4-yl)phenyl]methanol
• Synonyms: [3-methyl-4-(morpholin-4-yl)phenyl]methanol

Database IDs

• MDL Number: MFCD09754498
• PubChem SID: 164300463
• PubChem CID: 17604319

CALCULATED PROPERTIES

• Acid pKa: 15.176145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6088246
• LogD (pH = 7.4): 1.6088604
• Log P: 1.6088609
• Molar Refractivity: 61.4182 cm^3
• Polarizability: 23.014585 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.059

Product Information

• Purity: 95%