Cas no 69916-08-1 (1-Butanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-)
69916-08-1 structure
Product Name:1-Butanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
CAS No:69916-08-1
MF:C15H20O4
MW:264.316905021667
CID:391143
PubChem ID:13411737
Update Time:2025-04-19
1-Butanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
- 1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one
- DTXSID70539953
- CHEMBL3945645
- 1-[2,4,6-Trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one
- 69916-08-1
-
- Inchi: 1S/C15H20O4/c1-4-5-11(16)14-13(18)8-12(17)10(15(14)19)7-6-9(2)3/h6,8,17-19H,4-5,7H2,1-3H3
- InChI Key: UFVXYXGMXDOHHZ-UHFFFAOYSA-N
- SMILES: OC1C(=C(C=C(C=1C/C=C(\C)/C)O)O)C(CCC)=O
Computed Properties
- Exact Mass: 264.1362
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 333
- 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: 77.8?2
Experimental Properties
- PSA: 77.76
1-Butanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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