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Chemical ID: 4463149
Chemical ID:
4463149
Name [?]:
1-ethyl-4-[2-(4-ethylphenoxy)ethoxy]benzene
SMILES [?]:
CCc1ccc(cc1)OCCOc2ccc(cc2)CC
InChi [?]:
InChI=1/C18H22O2/c1-3-15-5-9-17(10-6-15)19-13-14-20-18-11-7-16(4-2)8-12-18/h5-12H,3-4,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,4,8,15,17,5,7,14,18,10,11,3,16,6,13,9,12/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84544 |
Area: | 506.888 |
Solvation: | -3.82677 |
Coulombic: | -17.2474 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 270.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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