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Chemical ID: 4373758
Chemical ID:
4373758
Name [?]:
1-[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene
SMILES [?]:
CCc1ccc(cc1)OCCOCCOc2ccc(cc2OC)C
InChi [?]:
InChI=1/C20H26O4/c1-4-17-6-8-18(9-7-17)23-13-11-22-12-14-24-19-10-5-16(2)15-20(19)21-3/h5-10,15H,4,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,18,4,8,5,7,17,11,13,10,14,20,19,3,6,16,21,22,12,9,15/E:(6,7)(8,9)/rA:24nCCCCCCCCOCCOCCOCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.64244 |
Area: | 591.074 |
Solvation: | -8.1344 |
Coulombic: | -30.1343 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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