≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC |
|---|---|
| IUPAC Name | (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one |
| InChIKey | QNBTYORWCCMPQP-NBVRZTHBSA-N |
| INCHI | 1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+ |
| Isomeric SMILES | COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC |
| WGK Germany | 2 |
| RTECS | QE0478300 |
| Molecular Weight | 387.86 |
| Beilstein | 8794474 |
| Reaxy-Rn | 8396839 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8396839&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Cinnamic acids and derivatives Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Morpholines Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Oxazinane - Aryl chloride - Aryl halide - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Morpholine fungicides |
| Solubility | Solubility：DMSO |
|---|---|
| Sensitivity | Moisture sensitive |
| Melt Point(°C) | 125-149°C |
| Molecular Weight | 387.900 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.124 Da |
| Monoisotopic Mass | 387.124 Da |
| Topological Polar Surface Area | 48.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 512.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yuanhao Zhou, Jiawen Ai, Lingli Cai, Yiyong Yan, BingZhi Wang, Hongzhen Ma, Quan Yu, Jianhua Zhou, Xinming Huo. (2023) Deep learning enabled miniature mass spectrometer for rapid qualitative and quantitative analysis of pesticides on vegetable surfaces. FOOD AND CHEMICAL TOXICOLOGY, [PMID:37648105] [10.1016/j.fct.2023.114000] |
| 2. Yuxian Zhu, Yongyi Zhang, Daoping Zeng, Haoyu Chen, Yu Wang, Jinyi Yang, Hong Wang, Zhenlin Xu, Yuanming Sun, Yuanxin Tian, Yudong Shen. (2024) Designing a size exclusion-based hapten and the development of a quantitative and visual time-resolved fluorescence immunochromatography assay strip for detecting dimethomorph and flumorph in a group-specific manner. FOOD CHEMISTRY, [PMID:38640545] [10.1016/j.foodchem.2024.139372] |
| 3. Chaochao Gong, Sailing Chen, Yunbing Tang, Huiqian Chen, Jianghuan Xie, Yanning Lv, Zhefan Shen, Yang Zhu, Shaowei Wang, Ren-shan Ge, Junzhao Zhao. (2024) Effects of organochlorine pesticides on human and rat 17β-hydroxysteroid dehydrogenase 1 activity: Structure-activity relationship and in silico docking analysis. JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, [PMID:38508472] [10.1016/j.jsbmb.2024.106510] |
| 4. Ya Wang, Yanxin Ma, Hui Wang, Fei Shang, Bo Yang, Yong Han. (2024) Smartphone-assisted carbon dots fluorescent sensing platform for visual detection of Thiophanate-methyl in fruits and vegetables. FOOD CHEMISTRY, [PMID:38241928] [10.1016/j.foodchem.2024.138413] |
| 5. Menghan Liu, Ruyu Zhang, Jie Wang, Huiting Zhang, Jingying Tan, Qingzhi Liu, Lei Han, Lihua Lu. (2025) Facilely Fabricating Bimetallic Ir/Co Nanozymes with High Oxidize-like Activities for Sensitive Detection of Malathion with Portable Swabs. ANALYTICAL CHEMISTRY, [PMID:40525265] [10.1021/acs.analchem.5c01779] |
