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Chemical ID: 4576293
Chemical ID:
4576293
Name [?]:
6-ethoxy-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3OC)OC)OC)C2=O
InChi [?]:
InChI=1/C20H20O6/c1-5-25-13-7-8-14-16(11-13)26-17(18(14)21)10-12-6-9-15(22-2)20(24-4)19(12)23-3/h6-11H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,22,2,14,5,6,15,12,9,13,4,7,16,8,11,25,18,17,26,23,19,21,3,10/rA:26nCCOCCCCCCOCCCCCCCCOCOCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s16;s23;s7s11;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78139 |
Area: | 568.91 |
Solvation: | -6.44135 |
Coulombic: | -47.6415 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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