Cas no 651331-40-7 (1H-Indole-3-hexadecanol, 6-methoxy-)
651331-40-7 structure
Product Name:1H-Indole-3-hexadecanol, 6-methoxy-
CAS No:651331-40-7
MF:C25H41NO2
MW:387.598547697067
CID:405532
PubChem ID:11326670
Update Time:2025-04-19
1H-Indole-3-hexadecanol, 6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-hexadecanol, 6-methoxy-
- 16-(6-methoxy-1H-indol-3-yl)hexadecan-1-ol
- 651331-40-7
- DTXSID50462497
- SCHEMBL5350304
- CHEMBL224902
-
- Inchi： 1S/C25H41NO2/c1-28-23-17-18-24-22(21-26-25(24)20-23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-27/h17-18,20-21,26-27H,2-16,19H2,1H3
- InChI Key： QBSFVHZBTWVNNE-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCCCCCCCC1=CNC2C=C(C=CC1=2)OC
Computed Properties
- Exact Mass: 387.31393
- Monoisotopic Mass: 387.313729551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 363
- 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: 8.8
- Topological Polar Surface Area: 45.2?2
Experimental Properties
- PSA: 45.25
1H-Indole-3-hexadecanol, 6-methoxy- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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