Cas no 783-80-2 (1,2-Benzenediol, 4-(1-methyl-1-phenylethyl)-)
783-80-2 structure
Product Name:1,2-Benzenediol, 4-(1-methyl-1-phenylethyl)-
CAS No:783-80-2
MF:C15H16O2
MW:228.286344528198
CID:534591
PubChem ID:13643998
Update Time:2025-04-19
1,2-Benzenediol, 4-(1-methyl-1-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-(1-methyl-1-phenylethyl)-
- 4-(2-phenylpropan-2-yl)benzene-1,2-diol
- SCHEMBL8024041
- DTXSID00545769
- 783-80-2
-
- Inchi： 1S/C15H16O2/c1-15(2,11-6-4-3-5-7-11)12-8-9-13(16)14(17)10-12/h3-10,16-17H,1-2H3
- InChI Key： IKCJCTNUWMSXRL-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C(C)(C)C1C=CC=CC=1)O
Computed Properties
- Exact Mass: 228.11508
- Monoisotopic Mass: 228.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 243
- 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: 3.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Benzenediol, 4-(1-methyl-1-phenylethyl)- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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