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Home > Indoles and Oxindole > 651331-37-2
651331-37-2 | 1H-Indole-3-octadecanol, 4-methoxy-
CAS No: 651331-37-2 Catalog No: AG006QLJ MDL No:
Product Description
Catalog Number:
AG006QLJ
Chemical Name:
1H-Indole-3-octadecanol, 4-methoxy-
CAS Number:
651331-37-2
Molecular Formula:
C27H45NO2
Molecular Weight:
415.6517
IUPAC Name:
18-(4-methoxy-1H-indol-3-yl)octadecan-1-ol
InChI:
InChI=1S/C27H45NO2/c1-30-26-21-18-20-25-27(26)24(23-28-25)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-29/h18,20-21,23,28-29H,2-17,19,22H2,1H3
InChI Key:
WQJNQMYYLBIZBD-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCc1c[nH]c2c1c(OC)ccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.345g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.662g/mol
Monoisotopic Mass:
415.345g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
Literature
| Title | Journal |
|---|---|
| Effects of indole fatty alcohols on the differentiation of neural stem cell derived neurospheres. | Journal of medicinal chemistry 20041202 |
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