Cas no 58697-56-6 (1H-Indole, 2-(3,4,5-trimethoxyphenyl)-)
58697-56-6 structure
Product Name:1H-Indole, 2-(3,4,5-trimethoxyphenyl)-
CAS No:58697-56-6
MF:C17H17NO3
MW:283.321784734726
CID:341202
PubChem ID:15046120
Update Time:2025-04-19
1H-Indole, 2-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 2-(3,4,5-trimethoxyphenyl)-
- 2-(3,4,5-trimethoxyphenyl)-1H-indole
- 58697-56-6
- DTXSID40567485
- CHEMBL571176
- SCHEMBL11656533
-
- Inchi： 1S/C17H17NO3/c1-19-15-9-12(10-16(20-2)17(15)21-3)14-8-11-6-4-5-7-13(11)18-14/h4-10,18H,1-3H3
- InChI Key： BSAXUDHEHFJVFG-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)C1=CC2C=CC=CC=2N1)OC)OC
Computed Properties
- Exact Mass: 283.12091
- Monoisotopic Mass: 283.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 324
- 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: 3.6
- Topological Polar Surface Area: 43.5?2
Experimental Properties
- PSA: 43.48
1H-Indole, 2-(3,4,5-trimethoxyphenyl)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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