Cas no 114333-42-5 (Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-)
114333-42-5 structure
Product Name:Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No:114333-42-5
MF:C15H12N2O3
MW:268.267383575439
CID:1202346
PubChem ID:706782
Update Time:2025-04-20
Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
- 6-[5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
- SR-01000539742
- MLS001198337
- HMS2854B08
- SMR000559243
- CHEMBL1343345
- 114333-42-5
- DTXSID40425192
- STK768939
- Oprea1_678689
- AKOS001744534
- 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
- SR-01000539742-1
-
- Inchi: 1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)14-16-17-15(20-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3
- InChI Key: NOZPDMPDJUURTF-UHFFFAOYSA-N
- SMILES: O1C(C2C=CC=CC=2O)=NN=C1C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 268.08486
- Monoisotopic Mass: 268.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 308
- 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: 2.7
- Topological Polar Surface Area: 68.4?2
Experimental Properties
- PSA: 68.38
Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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