Cas no 651331-31-6 (1H-Indole-3-dodecanol, 5-methoxy-)
651331-31-6 structure
Product Name:1H-Indole-3-dodecanol, 5-methoxy-
CAS No:651331-31-6
MF:C21H33NO2
MW:331.492226362228
CID:405541
PubChem ID:11359481
Update Time:2025-04-19
1H-Indole-3-dodecanol, 5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-dodecanol, 5-methoxy-
- 12-(5-methoxy-1H-indol-3-yl)dodecan-1-ol
- 651331-31-6
- CHEMBL224463
- DTXSID90463549
- SCHEMBL5350306
-
- Inchi： 1S/C21H33NO2/c1-24-19-13-14-21-20(16-19)18(17-22-21)12-10-8-6-4-2-3-5-7-9-11-15-23/h13-14,16-17,22-23H,2-12,15H2,1H3
- InChI Key： IAEMDHJUXPRWMZ-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCCCC1=CNC2C=CC(=CC1=2)OC
Computed Properties
- Exact Mass: 331.25129
- Monoisotopic Mass: 331.251129295g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 13
- Complexity: 310
- 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: 5.8
- Topological Polar Surface Area: 45.2?2
Experimental Properties
- PSA: 45.25
1H-Indole-3-dodecanol, 5-methoxy- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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