(3-ethoxy-4-methoxyphenyl)methanol

• ChemBase ID: 52916
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(c(ccc(c1)CO)OC)OCC
• Canonical SMILES: CCOc1cc(CO)ccc1OC
• InChI: InChI=1S/C10H14O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6,11H,3,7H2,1-2H3
• InChIKey: DPHGMDVPFZLOBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxy-4-methoxyphenyl)methanol
• IUPAC Traditional name: (3-ethoxy-4-methoxyphenyl)methanol
• Synonyms: (3-Ethoxy-4-methoxyphenyl)methanol; 3-Ethoxy-4-methoxybenzyl alcohol; 3-乙氧基-4-甲氧基苯甲醇

Database IDs

• CAS Number: 147730-26-5
• MDL Number: MFCD00012291
• PubChem SID: 162057679
• PubChem CID: 602708

CALCULATED PROPERTIES

• Acid pKa: 14.950947
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2473614
• LogD (pH = 7.4): 1.2473614
• Log P: 1.2473614
• Molar Refractivity: 50.5489 cm^3
• Polarizability: 19.662907 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 99%
• Empirical Formula (Hill Notation): C10H14O3