3-Phenoxy-2-butanone 3-苯氧基-2-丁酮

CAS 6437-85-0 MFCD00243672

化学结构图

6437-85-0
SMILES: CC(=O)C(C)Oc1ccccc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Boiling Point46 °C at 0.1 mmHg
Melting PointBP: 46 @ 0.1mm Hg (°C)

别名和识别编码

Chemical Name3-Phenoxy-2-Butanone
CAS Number6437-85-0
Alfabeta NamePHENOXYBUTANONE 32---
MDL NumberMFCD00243672
Synonym 3-Phenoxybutan-2-one {LY} 3-Phenoxybutan-2-one {} {LY} 3-Phenoxybutan-2-one {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenox
Chemical Name Translation3-苯氧基-2-丁酮
PubChem Substance ID2764474
LabNetwork Molecule IDLN00147818
InChIInChI=1S/C10H12O2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-7,9H,1-2H3
Canonical SMILESCC(=O)C(C)OC1=CC=CC=C1
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分类

  • {KO} Ketones
  • {SNA} Building Blocks, C10, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
WGK Germany3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
0
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C10 - Ethers

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