Cas no 651331-38-3 (1H-Indole-3-dodecanol, 6-methoxy-)
651331-38-3 structure
Product Name:1H-Indole-3-dodecanol, 6-methoxy-
CAS No:651331-38-3
MF:C21H33NO2
MW:331.492226362228
CID:405534
PubChem ID:11325016
Update Time:2025-04-19
1H-Indole-3-dodecanol, 6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-dodecanol, 6-methoxy-
- 12-(6-methoxy-1H-indol-3-yl)dodecan-1-ol
- CHEMBL224813
- SCHEMBL5353015
- DTXSID50462457
- 651331-38-3
-
- Inchi： 1S/C21H33NO2/c1-24-19-13-14-20-18(17-22-21(20)16-19)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： ZYRSPLLLOIVSBB-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCCCC1=CNC2C=C(C=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: 6.6
- Topological Polar Surface Area: 45.2?2
Experimental Properties
- PSA: 45.25
1H-Indole-3-dodecanol, 6-methoxy- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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