Cas no 139468-43-2 (1,3-Benzenediol, octadecyl-)
1,3-Benzenediol, octadecyl- structure
Product Name:1,3-Benzenediol, octadecyl-
CAS No:139468-43-2
MF:C24H42O2
MW:362.589087963104
CID:1288017
PubChem ID:19992648
Update Time:2025-04-20
1,3-Benzenediol, octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, octadecyl-
- 2-octadecylbenzene-1,3-diol
- DTXSID60601734
- SCHEMBL9784636
- 139468-43-2
- octadecylresorcinol
-
- Inchi： 1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-23(25)20-18-21-24(22)26/h18,20-21,25-26H,2-17,19H2,1H3
- InChI Key： UFSMCAFVNHWYCW-UHFFFAOYSA-N
- SMILES： OC1C=CC=C(C=1CCCCCCCCCCCCCCCCCC)O
Computed Properties
- Exact Mass: 362.31866
- Monoisotopic Mass: 362.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 282
- 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: 10.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,3-Benzenediol, octadecyl- Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
139468-43-2 (1,3-Benzenediol, octadecyl-) Related Products
- 5284-29-7(2-N-Dodecylphenol)
- 18979-60-7(4-Propylbenzene-1,3-diol)
- 27193-86-8(2-Dodecylphenol)
- 1300-94-3(Amylmetacresol)
- 18979-61-8(4-Butylresorcinol)
- 136-77-6(Hexylresorcinol)
- 644-35-9(2-Propylphenol)
- 2896-60-8(4-Ethylresorcinol)
- 138-00-1(2,4-Di-tert-amyl phenol)
- 13331-19-6(2-Propylbenzene-1,3-diol)
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