Chemical ID: 4576293

CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3OC)OC)OC)C2=O
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

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Descriptor Annotations

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