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Chemical ID: 4374196
Chemical ID:
4374196
Name [?]:
1-[2-[2-(4-fluorophenoxy)ethoxy]ethoxy]-2-methoxy-benzene
SMILES [?]:
COc1ccccc1OCCOCCOc2ccc(cc2)F
InChi [?]:
InChI=1/C17H19FO4/c1-19-16-4-2-3-5-17(16)22-13-11-20-10-12-21-15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,18,20,17,21,13,11,14,10,19,16,3,8,22,2,12,15,9/E:(6,7)(8,9)/rA:22nCOCCCCCCOCCOCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19FO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.25524 |
Area: | 527.755 |
Solvation: | -8.93863 |
Coulombic: | -32.9273 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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