Cas no 88978-50-1 (Phenol, 2,5-bis(2-benzoxazolyl)-4-methoxy-)
88978-50-1 structure
Product Name:Phenol, 2,5-bis(2-benzoxazolyl)-4-methoxy-
CAS No:88978-50-1
MF:C21H14N2O4
MW:358.346865177155
CID:617249
PubChem ID:135778338
Update Time:2025-04-19
Phenol, 2,5-bis(2-benzoxazolyl)-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,5-bis(2-benzoxazolyl)-4-methoxy-
- 3-(1,3-benzoxazol-2-yl)-6-(3H-1,3-benzoxazol-2-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
- DTXSID30710726
- 88978-50-1
- SCHEMBL8964777
- 3-(1,3-Benzoxazol-2-yl)-6-(1,3-benzoxazol-2(3H)-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
- 2,5-di(benzo[d]oxazol-2-yl)-4-methoxyphenol
-
- Inchi： 1S/C21H14N2O4/c1-25-19-11-12(20-22-14-6-2-4-8-17(14)26-20)16(24)10-13(19)21-23-15-7-3-5-9-18(15)27-21/h2-11,24H,1H3
- InChI Key： UCOKJAHCQDPCQG-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1C1C=C(C(C2=NC3C=CC=CC=3O2)=CC=1OC)O
Computed Properties
- Exact Mass: 358.095
- Monoisotopic Mass: 358.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 726
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 73.6A^2
- XLogP3: 4.5
Phenol, 2,5-bis(2-benzoxazolyl)-4-methoxy- Related Literature
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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