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Chemical ID: 4572457
Chemical ID:
4572457
Name [?]:
3-(4-methoxyphenoxy)-7-(o-tolylmethoxy)chromen-4-one
SMILES [?]:
Cc1ccccc1COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC
InChi [?]:
InChI=1/C24H20O5/c1-16-5-3-4-6-17(16)14-27-20-11-12-21-22(13-20)28-15-23(24(21)25)29-19-9-7-18(26-2)8-10-19/h3-13,15H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,4,5,3,6,24,26,23,27,11,12,15,8,17,2,7,25,22,10,13,14,18,19,20,28,9,16,21/E:(7,8)(9,10)/rA:29nCCCCCCCCOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68706 |
Area: | 608.342 |
Solvation: | -5.52148 |
Coulombic: | -40.432 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.46 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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