4-(1-hydroxyethyl)-2,6-dimethoxyphenol

• ChemBase ID: 243798
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: c1(c(cc(cc1OC)C(O)C)OC)O
• Canonical SMILES: COc1cc(cc(c1O)OC)C(O)C
• InChI: InChI=1S/C10H14O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-6,11-12H,1-3H3
• InChIKey: DDDDTTULEBRRJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-hydroxyethyl)-2,6-dimethoxyphenol
• IUPAC Traditional name: 4-(1-hydroxyethyl)-2,6-dimethoxyphenol
• Synonyms: 4-(1-hydroxyethyl)-2,6-dimethoxyphenol

Database IDs

• MDL Number: MFCD00238585
• PubChem SID: 164299708
• PubChem CID: 13932394

CALCULATED PROPERTIES

• Acid pKa: 9.303892
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0034955
• LogD (pH = 7.4): 0.99821746
• Log P: 1.0035632
• Molar Refractivity: 52.2 cm^3
• Polarizability: 20.294884 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.378

Product Information

• Purity: 95%