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Chemical ID: 4372543
Chemical ID:
4372543
Name [?]:
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
SMILES [?]:
CCOc1cccc(c1)OCCCOc2cccc(c2)C
InChi [?]:
InChI=1/C18H22O3/c1-3-19-17-9-5-10-18(14-17)21-12-6-11-20-16-8-4-7-15(2)13-16/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,17,6,12,18,16,5,7,13,11,20,9,19,15,4,8,3,14,10/rA:21nCCOCCCCCCOCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43829 |
Area: | 528.338 |
Solvation: | -4.77016 |
Coulombic: | -23.5173 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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