(2R)-3-(2-methoxyphenoxy)propane-1,2-diol

• ChemBase ID: 119602
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: O(c1c(OC)cccc1)C[C@H](O)CO
• Canonical SMILES: OC[C@H](COc1ccccc1OC)O
• InChI: InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
• InChIKey: HSRJKNPTNIJEKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-3-(2-methoxyphenoxy)propane-1,2-diol
• IUPAC Traditional name: mucinex
• Synonyms: (R)-3-(2-methoxyphenoxy)propane-1,2-diol

Database IDs

• PubChem SID: 162107690
• PubChem CID: 6604218

CALCULATED PROPERTIES

• Acid pKa: 13.624145
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.33746633
• LogD (pH = 7.4): 0.33746606
• Log P: 0.33746633
• Molar Refractivity: 51.2392 cm^3
• Polarizability: 20.314726 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds