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Chemical ID: 5580132
Chemical ID:
5580132
Name [?]:
1-(4,6-dimethoxybenzofuran-5-yl)-3-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C=CC(=O)c2c(cc3c(c2OC)cco3)OC
InChi [?]:
InChI=1/C20H18O5/c1-22-14-7-4-13(5-8-14)6-9-16(21)19-18(23-2)12-17-15(10-11-25-17)20(19)24-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,20,5,7,9,4,8,10,21,22,15,6,3,17,11,16,14,13,18,12,2,24,19,23/E:(4,5)(7,8)/rA:25nCOCCCCCCCCCOCCCCCCOCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s17;d21;s16s22;s14;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86708 |
Area: | 526.134 |
Solvation: | -6.28627 |
Coulombic: | -37.0276 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 338.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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