Cas no 921758-92-1 (1-Octadecanone, 1-(3-chloro-2,6-dihydroxyphenyl)-)
921758-92-1 structure
Product Name:1-Octadecanone, 1-(3-chloro-2,6-dihydroxyphenyl)-
CAS No:921758-92-1
MF:C24H39ClO3
MW:411.01766705513
CID:743422
PubChem ID:58914361
Update Time:2025-04-19
1-Octadecanone, 1-(3-chloro-2,6-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanone, 1-(3-chloro-2,6-dihydroxyphenyl)-
- 1-(3-chloro-2,6-dihydroxyphenyl)octadecan-1-one
- DTXSID00730597
- SCHEMBL14106868
- 1-(3-chloro-2,6-dihydroxyphenyl)-1-octadecanone
- 921758-92-1
-
- Inchi： 1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)23-22(27)19-18-20(25)24(23)28/h18-19,27-28H,2-17H2,1H3
- InChI Key： JHGPOESNDSGDAO-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=C1O)C(CCCCCCCCCCCCCCCCC)=O)O
Computed Properties
- Exact Mass: 410.2587728g/mol
- Monoisotopic Mass: 410.2587728g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 388
- 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: 10.5
- Topological Polar Surface Area: 57.5?2
1-Octadecanone, 1-(3-chloro-2,6-dihydroxyphenyl)- Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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