Cas no 105706-17-0 (1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]-)
![1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]- structure](https://ossimg.kuujia.com/scimg/106000/105706-17-0x500.png)
105706-17-0 structure
Product Name:1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]-
CAS No:105706-17-0
MF:C16H16O5
MW:288.295245170593
CID:1160473
PubChem ID:71333768
Update Time:2025-04-20
1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]-
- 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]benzene-1,3-diol
- 105706-17-0
- 4-[2-(6-Methoxy-2H-1,3-benzodioxol-5-yl)ethyl]benzene-1,3-diol
- DTXSID50761972
-
- Inchi： 1S/C16H16O5/c1-19-14-8-16-15(20-9-21-16)6-11(14)3-2-10-4-5-12(17)7-13(10)18/h4-8,17-18H,2-3,9H2,1H3
- InChI Key： HCYWGFBORHGQFG-UHFFFAOYSA-N
- SMILES： O1COC2=CC(=C(C=C12)CCC1C=CC(=CC=1O)O)OC
Computed Properties
- Exact Mass: 288.09978
- Monoisotopic Mass: 288.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 337
- 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: 3.2
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- PSA: 68.15
- LogP: 2.62030
1,3-Benzenediol, 4-[2-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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