(3-methoxy-4-propoxyphenyl)methanol

• ChemBase ID: 235202
• Molecular Formular: C11H16O3
• Molecular Mass: 196.24294
• Monoisotopic Mass: 196.10994437
• SMILES: c1(c(ccc(c1)CO)OCCC)OC
• Canonical SMILES: CCCOc1ccc(cc1OC)CO
• InChI: InChI=1S/C11H16O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h4-5,7,12H,3,6,8H2,1-2H3
• InChIKey: QXHCGEWVQZCIMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-4-propoxyphenyl)methanol
• IUPAC Traditional name: (3-methoxy-4-propoxyphenyl)methanol
• Synonyms: (3-methoxy-4-propoxyphenyl)methanol

Database IDs

• CAS Number: 103859-81-0
• MDL Number: MFCD06340073
• PubChem SID: 164291112
• PubChem CID: 2125298

CALCULATED PROPERTIES

• Acid pKa: 14.951058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7698839
• LogD (pH = 7.4): 1.7698839
• Log P: 1.7698839
• Molar Refractivity: 55.0729 cm^3
• Polarizability: 21.50209 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 1.82

Product Information

• Purity: 95%