eugenyl tridecanaote

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: eugenyl tridecanaote
• 化学式: C₂₃H₃₆O₃
• 分子量: 360.537
• InChiKey: QYKKRGJIOAMUTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.64
• 重原子数：
  26.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  丁香酚 、 十三酰氯 以 二氯甲烷 为溶剂， 反应 3.0h， 以87%的产率得到eugenyl tridecanaote
  参考文献：
  名称：

  Synthesis, Antimicrobial Activity and in silico Studies on Eugenol Eters

  摘要：

  The results presented herein represent our continued study based on the modification of phenolic functionality in molecules originated from natural sources by acylation. A small focused library of nineteen eugenyl esters, with four of which are new compounds, is reported. All compounds were subjected to in vitro antimicrobial testing. In silico studies were carried out calculating physico-chemical, pharmacokinetic and toxicological properties, providing more data as additional guidance for further research.

  DOI：

  10.17344/acsi.2018.4380

文献信息

• Synthesis, Antimicrobial Activity and in silico Studies on Eugenol Eters
  作者：Jelena Lazarević、Ana Kolarević、Gordana Stojanović、Andrija Šmelcerović、Pierangela Ciuffreda、Enzo Santaniello

  DOI：10.17344/acsi.2018.4380

  日期：——

  The results presented herein represent our continued study based on the modification of phenolic functionality in molecules originated from natural sources by acylation. A small focused library of nineteen eugenyl esters, with four of which are new compounds, is reported. All compounds were subjected to in vitro antimicrobial testing. In silico studies were carried out calculating physico-chemical, pharmacokinetic and toxicological properties, providing more data as additional guidance for further research.