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Chemical ID: 4371139
Chemical ID:
4371139
Name [?]:
2-[4-(4-ethoxyphenoxy)butoxy]naphthalene
SMILES [?]:
CCOc1ccc(cc1)OCCCCOc2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H24O3/c1-2-23-20-11-13-21(14-12-20)24-15-5-6-16-25-22-10-9-18-7-3-4-8-19(18)17-22/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,12,13,20,23,18,17,5,9,6,8,11,14,25,19,24,4,7,16,3,10,15/E:(11,12)(13,14)/rA:25nCCOCCCCCCOCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1661 |
Area: | 592.43 |
Solvation: | -4.64469 |
Coulombic: | -24.8356 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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