55743-20-9 ((S) -5-羟基-7-甲氧基-6-甲基-2-苯基-色满-4-酮,(S)-5-Hydroxy-7-methoxy-6-methyl-2-phenyl-chroman-4-on)

CAS号:
55743-20-9
中文名称:
(S) -5-羟基-7-甲氧基-6-甲基-2-苯基-色满-4-酮
英文名称:
(S)-5-Hydroxy-7-methoxy-6-methyl-2-phenyl-chroman-4-on
分子式:
C17H16O4
分子量:
284.306545257568

(S) -5-羟基-7-甲氧基-6-甲基-2-苯基-色满-4-酮(55743-20-9)名称与标识符

名称

英文别名:
(S)-5-Hydroxy-7-methoxy-6-methyl-2-phenyl-chroman-4-on;(S)-5-hydroxy-7-methoxy-6-methyl-2-phenyl-chroman-4-one;7-Me ether-S-5,7-Dihydroxy-6-methylflavanone;7-Me ether-Strobopinin;Strobopinin-7-methylether;4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-6-methyl-2-phenyl-, (2S)-;

标识符

InChIKey:
MJPLGHSVCRZIQU-UHFFFAOYSA-N
Inchi:
1S/C17H16O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-7,9,14,19H,8H2,1-2H3
SMILES:
COC1C(C)=C(O)C2=C(OC(C3C=CC=CC=3)CC2=O)C=1

(S) -5-羟基-7-甲氧基-6-甲基-2-苯基-色满-4-酮(55743-20-9)物化性质

实验特性

  • 沸点 : 505.3±50.0 °C(Predicted)
  • 熔点 : 100-101 °C
  • 酸度系数(pKa) : 7.73±0.40(Predicted)
  • 密度 : 1.254±0.06 g/cm3(Predicted)

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 重原子数量 : 21
  • 疏水参数计算参考值(XlogP) : 2.006