Chemical ID: 7343153

Cc1c(ccc2c1OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O)OCC(=C)C
Chemical ID:
7343153
Name [?]:
7-methyl-6-(2-methylprop-2-enoxy)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1c(ccc2c1OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O)OCC(=C)C
InChi [?]:
InChI=1/C23H24O6/c1-13(2)12-28-17-8-7-16-21(24)18(29-22(16)14(17)3)9-15-10-19(25-4)23(27-6)20(11-15)26-5/h7-11H,1,12H2,2-6H3
InChi Info:
AuxInfo=1/0/N:28,29,1,18,22,20,5,4,10,16,12,26,27,2,11,6,3,9,15,13,23,7,14,24,17,21,19,25,8/E:(4,5)(10,11)(19,20)(25,26)/rA:29nCCCCCCCOCCCCCCCCOCOCOCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;s6s9;d23;s3;s25;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O6
All Atoms:53
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.79342
Area:602.311
Solvation:-7.26436
Coulombic:-47.9668
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:396.433
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.58
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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