Cas no 400608-31-3 (Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-)
![Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]- structure](https://ossimg.kuujia.com/scimg/401000/400608-31-3x500.png)
400608-31-3 structure
Product Name:Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-
CAS No:400608-31-3
MF:C17H16O3
MW:268.307145118713
CID:2825811
PubChem ID:11673405
Update Time:2025-04-21
Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-
- SCHEMBL673820
- 400608-31-3
- DTXSID70470413
-
- Inchi： 1S/C17H16O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h6-12H,1-3H3
- InChI Key： GOPIJZBYBMAVGB-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C#CC2C=CC(=CC=2)OC)C=1)OC
Computed Properties
- Exact Mass: 268.109944368Da
- Monoisotopic Mass: 268.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 27.7?2
Benzene, 1,3-dimethoxy-5-[(4-methoxyphenyl)ethynyl]- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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