2-methoxypropan-1-ol

• ChemBase ID: 240830
• Molecular Formular: C4H10O2
• Molecular Mass: 90.121
• Monoisotopic Mass: 90.06807956
• SMILES: OCC(OC)C
• Canonical SMILES: CC(OC)CO
• InChI: InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
• InChIKey: YTTFFPATQICAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropan-1-ol
• IUPAC Traditional name: 1-propanol, 2-methoxy-
• Synonyms: 2-methoxy-1-propanol; 2-methoxypropan-1-ol

Database IDs

• CAS Number: 1320-67-8
• MDL Number: MFCD00126948
• PubChem SID: 164296740
• PubChem CID: 14846

CALCULATED PROPERTIES

• Acid pKa: 14.687134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14897755
• LogD (pH = 7.4): -0.14897758
• Log P: -0.14897755
• Molar Refractivity: 23.7236 cm^3
• Polarizability: 9.428219 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.437

Product Information

• Purity: 95%