Cas no 288844-44-0 (Phenol,2-(5-isoxazolyl)-4-(1-methylethyl)-)
288844-44-0 structure
Product Name:Phenol,2-(5-isoxazolyl)-4-(1-methylethyl)-
CAS No:288844-44-0
MF:C12H13NO2
MW:203.237123250961
CID:248951
PubChem ID:136232084
Update Time:2025-04-19
Phenol,2-(5-isoxazolyl)-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-(5-isoxazolyl)-4-(1-methylethyl)-
- 6-(2H-1,2-oxazol-5-ylidene)-4-propan-2-ylcyclohexa-2,4-dien-1-one
- 4-ISOPROPYL-2-(ISOXAZOL-5-YL)PHENOL
- 5-(2-HYDROXY-5-ISOPROPYLPHENYL)ISOXAZOLE
- AG-E-93551
- CTK4G2332
- 288844-44-0
- 6-(1,2-Oxazol-5(2H)-ylidene)-4-(propan-2-yl)cyclohexa-2,4-dien-1-one
- DTXSID60695476
-
- Inchi： 1S/C12H13NO2/c1-8(2)9-3-4-11(14)10(7-9)12-5-6-13-15-12/h3-8,14H,1-2H3
- InChI Key： LLFVBKFDJZAAAT-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)C1=C(C=CC(=C1)C(C)C)O
Computed Properties
- Exact Mass: 203.09500
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 2.8
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26000
- LogP: 3.17060
Phenol,2-(5-isoxazolyl)-4-(1-methylethyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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