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Chemical ID: 4371280
Chemical ID:
4371280
Name [?]:
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCCOc2ccc(cc2)C
InChi [?]:
InChI=1/C19H24O3/c1-3-20-17-10-12-19(13-11-17)22-15-5-4-14-21-18-8-6-16(2)7-9-18/h6-13H,3-5,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,13,12,18,20,17,21,5,9,6,8,14,11,19,4,16,7,3,15,10/E:(6,7)(8,9)(10,11)(12,13)/rA:22nCCOCCCCCCOCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47186 |
Area: | 558.493 |
Solvation: | -4.49046 |
Coulombic: | -23.9765 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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