4-(ethoxymethyl)-2-methoxyphenol

• ChemBase ID: 797386
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(c(cc(cc1)COCC)OC)O
• Canonical SMILES: CCOCc1ccc(c(c1)OC)O
• InChI: InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3
• InChIKey: KOCVACNWDMSLBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethoxymethyl)-2-methoxyphenol
• IUPAC Traditional name: 4-(ethoxymethyl)-2-methoxyphenol
• Synonyms: 4-(EthoxyMethyl)-2-Methoxyphenol

Database IDs

• CAS Number: 13184-86-6

CALCULATED PROPERTIES

• Acid pKa: 9.914897
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7445773
• LogD (pH = 7.4): 1.7432777
• Log P: 1.744594
• Molar Refractivity: 50.8178 cm^3
• Polarizability: 19.663853 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%