2-(2-methoxy-5-methylphenoxymethyl)pyridine

• ChemBase ID: 5075
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: Cc1cc(c(cc1)OC)OCc1ncccc1
• Canonical SMILES: COc1ccc(cc1OCc1ccccn1)C
• InChI: InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
• InChIKey: AVXQTLSOXWQOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-5-methylphenoxymethyl)pyridine
• IUPAC Traditional name: 2-(2-methoxy-5-methylphenoxymethyl)pyridine
• Synonyms: 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine

Database IDs

• PubChem SID: 160968506; 99443898
• PubChem CID: 44129642

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7517238
• LogD (pH = 7.4): 2.7594972
• Log P: 2.7595973
• Molar Refractivity: 65.9591 cm^3
• Polarizability: 25.82197 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.94
• LOG S: -2.41
• Solubility (Water): 8.92e-01 g/l

DETAILS

DrugBank - DB07427

Drug information: experimental