4-[2-(morpholin-4-yl)ethoxy]phenol hydrochloride

• ChemBase ID: 260144
• Molecular Formular: C12H18ClNO3
• Molecular Mass: 259.72922
• Monoisotopic Mass: 259.09752112
• SMILES: N1(CCOc2ccc(cc2)O)CCOCC1.Cl
• Canonical SMILES: Oc1ccc(cc1)OCCN1CCOCC1.Cl
• InChI: InChI=1S/C12H17NO3.ClH/c14-11-1-3-12(4-2-11)16-10-7-13-5-8-15-9-6-13;/h1-4,14H,5-10H2;1H
• InChIKey: BFCGGHBEWOSDJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethoxy]phenol hydrochloride
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethoxy]phenol hydrochloride
• Synonyms: 4-[2-(morpholin-4-yl)ethoxy]phenol hydrochloride

Database IDs

• MDL Number: MFCD12197128
• PubChem SID: 164316054
• PubChem CID: 45791507

CALCULATED PROPERTIES

• Acid pKa: 9.925835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15871398
• LogD (pH = 7.4): 1.2436707
• Log P: 1.3121533
• Molar Refractivity: 61.5957 cm^3
• Polarizability: 24.149612 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.693

Product Information

• Purity: 95%