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Chemical ID: 4372139
Chemical ID:
4372139
Name [?]:
1-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2ccccc2OC
InChi [?]:
InChI=1/C18H22O4/c1-3-20-15-9-11-16(12-10-15)21-13-6-14-22-18-8-5-4-7-17(18)19-2/h4-5,7-12H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,18,17,12,19,16,5,9,6,8,11,13,4,7,20,15,21,3,10,14/E:(9,10)(11,12)/rA:22nCCOCCCCCCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76718 |
Area: | 544.626 |
Solvation: | -6.84848 |
Coulombic: | -29.847 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 302.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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