{4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-3-yl}methanol

• ChemBase ID: 691766
• Molecular Formular: C14H18FNO2
• Molecular Mass: 251.2966232
• Monoisotopic Mass: 251.13215704
• SMILES: N1(C(COCC1)CO)C/C=C/c1ccc(F)cc1
• Canonical SMILES: OCC1COCCN1C/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C14H18FNO2/c15-13-5-3-12(4-6-13)2-1-7-16-8-9-18-11-14(16)10-17/h1-6,14,17H,7-11H2/b2-1+
• InChIKey: BFPSVVIILMTMRB-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-3-yl}methanol
• IUPAC Traditional name: {4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-3-yl}methanol
• Synonyms: {4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.038326
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9710789
• LogD (pH = 7.4): 1.7865577
• Log P: 1.8184248
• Molar Refractivity: 70.1727 cm^3
• Polarizability: 26.658548 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.93
• LOG S: -1.67
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4