Cas no 62787-16-0 (Benzene, 1,2,3,4-tetramethyl-5-phenoxy-)
62787-16-0 structure
Product Name:Benzene, 1,2,3,4-tetramethyl-5-phenoxy-
CAS No:62787-16-0
MF:C16H18O
MW:226.313524723053
CID:431282
PubChem ID:19780684
Update Time:2025-04-19
Benzene, 1,2,3,4-tetramethyl-5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,3,4-tetramethyl-5-phenoxy-
- 1,2,3,4-tetramethyl-5-phenoxybenzene
- SCHEMBL3331237
- 62787-16-0
- DTXSID90599852
-
- Inchi： 1S/C16H18O/c1-11-10-16(14(4)13(3)12(11)2)17-15-8-6-5-7-9-15/h5-10H,1-4H3
- InChI Key： DCDWXPVQUBUZGJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C=C(C)C(C)=C(C)C=1C
Computed Properties
- Exact Mass: 226.13584
- Monoisotopic Mass: 226.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 4.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,2,3,4-tetramethyl-5-phenoxy- Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
62787-16-0 (Benzene, 1,2,3,4-tetramethyl-5-phenoxy-) Related Products
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