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Chemical ID: 4231601
Chemical ID:
4231601
Name [?]:
8-[2-(4-methoxyphenoxy)ethoxy]quinoline
SMILES [?]:
COc1ccc(cc1)OCCOc2cccc3c2nccc3
InChi [?]:
InChI=1/C18H17NO3/c1-20-15-7-9-16(10-8-15)21-12-13-22-17-6-2-4-14-5-3-11-19-18(14)17/h2-11H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,21,16,22,14,4,8,5,7,20,10,11,17,3,6,13,18,19,2,9,12/E:(7,8)(9,10)/rA:22nCOCCCCCCOCCOCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24023 |
Area: | 505.315 |
Solvation: | -6.39264 |
Coulombic: | -27.3329 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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