1-(7-Methoxybenzofuran-2-Yl)Ethanone 2-乙酰基-7-甲氧基苯并呋喃
CAS 43071-52-9 MFCD00016911
化学结构图
SMILES: CC(=O)C1=CC2C=CC=C(OC)C=2O1
化学属性
| Mol. Formula | C11H10O3 |
|---|---|
| Mol. Weight | 190.20 |
| Melting Point | 92.0 to 95.0 deg-C |
| TSCA | No |
| Boiling Point | 180°C/15mmHg(lit.) |
别名和识别编码
| Chemical Name | 1-(7-Methoxybenzofuran-2-Yl)Ethanone |
|---|---|
| CAS Number | 43071-52-9 |
| Alfabeta Name | METHOXYBENZOFURANYLETHANONE 17121()-------- |
| MDL Number | MFCD00016911 |
| PubChem Substance ID | 87562777 |
| Synonym | 1-(7-Methoxy-2-benzofuranyl)ethanone Ethanone, 1-(7-methoxy-2-benzofuranyl)- 7-Methoxy-2-benzofuranyl methyl ketone 2-乙酰基-7-甲氧基苯并呋喃 |
| Chemical Name Translation | 2-乙酰基-7-甲氧基苯并呋喃 |
| Reaxys-RN | 156263 |
| Beilstein Registry Number | 18(3/4)361 |
| Wiswesser Line Notation | T56 BOJ CV1 IO1 |
| InChIKey | MUUMFANQVPWPFY-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00112044 |
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分类
- {SNA} Benzofurans, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
- {KO} Ketones
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 12,383,1977
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
3
Rotatable Bonds
2
H-bond Donors
0
LogP
8.172000000000000e-001
