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Chemical ID: 4372038
Chemical ID:
4372038
Name [?]:
1-isopropyl-2-[2-(2-methoxyphenoxy)ethoxy]-4-methyl-benzene
SMILES [?]:
Cc1ccc(c(c1)OCCOc2ccccc2OC)C(C)C
InChi [?]:
InChI=1/C19H24O3/c1-14(2)16-10-9-15(3)13-19(16)22-12-11-21-18-8-6-5-7-17(18)20-4/h5-10,13-14H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:21,22,1,19,15,14,16,13,3,4,10,9,7,20,2,5,17,12,6,18,11,8/E:(1,2)/rA:22nCCCCCCCOCCOCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31405 |
Area: | 534.361 |
Solvation: | -6.04497 |
Coulombic: | -23.4874 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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