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Chemical ID: 4373815
Chemical ID:
4373815
Name [?]:
1-methoxy-4-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3O3/c1-21-14-6-8-15(9-7-14)22-10-3-11-23-16-5-2-4-13(12-16)17(18,19)20/h2,4-9,12H,3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,11,17,15,4,8,5,7,10,12,19,18,3,6,14,20,21,22,23,2,9,13/E:(6,7)(8,9)(18,19,20)/rA:23nCOCCCCCCOCCCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58737 |
Area: | 524.298 |
Solvation: | -5.52007 |
Coulombic: | -41.1764 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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