{4-[3-(1-methoxyethyl)phenyl]pyridin-2-yl}methanol

• ChemBase ID: 578015
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1c(c2cc(ncc2)CO)cccc1C(OC)C
• Canonical SMILES: COC(c1cccc(c1)c1ccnc(c1)CO)C
• InChI: InChI=1S/C15H17NO2/c1-11(18-2)12-4-3-5-13(8-12)14-6-7-16-15(9-14)10-17/h3-9,11,17H,10H2,1-2H3
• InChIKey: YFWIVDRUSIYTOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[3-(1-methoxyethyl)phenyl]pyridin-2-yl}methanol
• IUPAC Traditional name: {4-[3-(1-methoxyethyl)phenyl]pyridin-2-yl}methanol
• Synonyms: {4-[3-(1-methoxyethyl)phenyl]-2-pyridinyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.168535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9516113
• LogD (pH = 7.4): 2.008493
• Log P: 2.0092726
• Molar Refractivity: 71.3169 cm^3
• Polarizability: 29.080597 Å^3
• Polar Surface Area: 42.35 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: 1.58
• LOG S: -2.33
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 4