3-(morpholin-2-yl)phenol

• ChemBase ID: 240280
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: c1(cc(O)ccc1)C1OCCNC1
• Canonical SMILES: Oc1cccc(c1)C1CNCCO1
• InChI: InChI=1S/C10H13NO2/c12-9-3-1-2-8(6-9)10-7-11-4-5-13-10/h1-3,6,10-12H,4-5,7H2
• InChIKey: VYFSCTYDZYUMSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-2-yl)phenol
• IUPAC Traditional name: 3-(morpholin-2-yl)phenol
• Synonyms: 3-(morpholin-2-yl)phenol

Database IDs

• MDL Number: MFCD10035260
• PubChem SID: 164296190
• PubChem CID: 44443901

CALCULATED PROPERTIES

• Acid pKa: 9.384291
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4322541
• LogD (pH = 7.4): 0.29754376
• Log P: 0.8642185
• Molar Refractivity: 50.0316 cm^3
• Polarizability: 19.780043 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.483

Product Information

• Purity: 95%