Cas no 50479-31-7 (1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]-)
![1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]- structure](https://ossimg.kuujia.com/scimg/50500/50479-31-7x500.png)
50479-31-7 structure
Product Name:1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]-
CAS No:50479-31-7
MF:C17H18O3
MW:270.323025226593
CID:1567494
PubChem ID:12363703
Update Time:2025-04-21
1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]-
- 5-[3-(4-methoxyphenyl)propyl]-1,3-benzodioxole
- 50479-31-7
- 5-[3-(4-Methoxyphenyl)propyl]-2H-1,3-benzodioxole
- DTXSID10494315
-
- Inchi： 1S/C17H18O3/c1-18-15-8-5-13(6-9-15)3-2-4-14-7-10-16-17(11-14)20-12-19-16/h5-11H,2-4,12H2,1H3
- InChI Key： UWXSKPLUQXYHKR-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CCCC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 286
- 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: 4.6
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1,3-Benzodioxole, 5-[3-(4-methoxyphenyl)propyl]- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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