Cas no 66276-91-3 (4-tert-butyl-2,6-bis(1-phenylethyl)phenol)
66276-91-3 structure
Product Name:4-tert-butyl-2,6-bis(1-phenylethyl)phenol
CAS No:66276-91-3
MF:C26H30O
MW:358.515807628632
CID:1706703
PubChem ID:153020
Update Time:2025-04-21
4-tert-butyl-2,6-bis(1-phenylethyl)phenol Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-butyl-2,6-bis(1-phenylethyl)phenol
- 4-tert-Butyl-2,6-bis(a-methylbenzyl)phenol
- Phenol, 4-(1,1-dimethylethyl)-2,6-bis(1-phenylethyl)-
- 4-(1,1-dimethylethyl)-2,6-bis(1-phenylethyl)-Phenol
- SCHEMBL10777240
- DTXSID40984810
- WGVJRWOSAIHLDI-UHFFFAOYSA-N
- 2,6-bis-(1-phenylethyl)-4-t-butylphenol
- 4-tert-Butyl-2,6-bis(1-phenylethyl)phenol #
- 66276-91-3
-
- Inchi： 1S/C26H30O/c1-18(20-12-8-6-9-13-20)23-16-22(26(3,4)5)17-24(25(23)27)19(2)21-14-10-7-11-15-21/h6-19,27H,1-5H3
- InChI Key： WGVJRWOSAIHLDI-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C=C1C(C)C1C=CC=CC=1)C(C)(C)C)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 358.2298
- Monoisotopic Mass: 358.229665576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 404
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-tert-butyl-2,6-bis(1-phenylethyl)phenol Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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