Cas no 653590-50-2 (Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy-)
![Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy- structure](https://ossimg.kuujia.com/scimg/654000/653590-50-2x500.png)
653590-50-2 structure
Product Name:Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy-
CAS No:653590-50-2
MF:C16H13NO4
MW:283.278724431992
CID:400011
PubChem ID:136272585
Update Time:2025-04-19
Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy-
- 4-[5-(4-hydroxy-3-methoxyphenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one
- DTXSID20798811
- 4-[5-(4-Hydroxy-3-methoxyphenyl)-1,2-oxazol-3(2H)-ylidene]cyclohexa-2,5-dien-1-one
- 653590-50-2
-
- Inchi： 1S/C16H13NO4/c1-20-16-8-11(4-7-14(16)19)15-9-13(17-21-15)10-2-5-12(18)6-3-10/h2-9,18-19H,1H3
- InChI Key： VOGDFIXCQQYZIM-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC(=CC=2)O)=N1)C1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 283.08449
- Monoisotopic Mass: 283.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 332
- 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
- Topological Polar Surface Area: 75.7?2
Experimental Properties
- PSA: 75.72
Phenol, 4-[3-(4-hydroxyphenyl)-5-isoxazolyl]-2-methoxy- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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