Cas no 862564-44-1 (Phenol, 4-[4-[(1,3,4-trimethyl-1H-pyrazol-5-yl)oxy]phenoxy]-)
862564-44-1 structure
Product Name:Phenol, 4-[4-[(1,3,4-trimethyl-1H-pyrazol-5-yl)oxy]phenoxy]-
CAS No:862564-44-1
MF:C18H18N2O3
MW:310.347124576569
CID:662136
PubChem ID:15984309
Update Time:2025-04-19
Phenol, 4-[4-[(1,3,4-trimethyl-1H-pyrazol-5-yl)oxy]phenoxy]- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-[4-[(1,3,4-trimethyl-1H-pyrazol-5-yl)oxy]phenoxy]-
- 4-[4-(2,4,5-trimethylpyrazol-3-yl)oxyphenoxy]phenol
- 862564-44-1
- SCHEMBL13242976
- DTXSID30580820
- 4-{4-[(1,3,4-Trimethyl-1H-pyrazol-5-yl)oxy]phenoxy}phenol
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- Inchi: 1S/C18H18N2O3/c1-12-13(2)19-20(3)18(12)23-17-10-8-16(9-11-17)22-15-6-4-14(21)5-7-15/h4-11,21H,1-3H3
- InChI Key: IBOKYEIVLKGCEV-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)OC1C=CC(=CC=1)O)C1=C(C)C(C)=NN1C
Computed Properties
- Exact Mass: 310.13174244g/mol
- Monoisotopic Mass: 310.13174244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 365
- 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
- Topological Polar Surface Area: 56.5?2
Phenol, 4-[4-[(1,3,4-trimethyl-1H-pyrazol-5-yl)oxy]phenoxy]- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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