Chemical ID: 4231601

COc1ccc(cc1)OCCOc2cccc3c2nccc3
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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