Chemical ID: 7338994

COc1ccc(cc1)COc2ccc3c(c2)OC(=Cc4cc(c(c(c4)OC)OC)OC)C3=O
Chemical ID:
7338994
Name [?]:
6-[(4-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1ccc(cc1)COc2ccc3c(c2)OC(=Cc4cc(c(c(c4)OC)OC)OC)C3=O
InChi [?]:
InChI=1/C26H24O7/c1-28-18-7-5-16(6-8-18)15-32-19-9-10-20-21(14-19)33-22(25(20)27)11-17-12-23(29-2)26(31-4)24(13-17)30-3/h5-14H,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,31,29,5,7,4,8,12,13,19,25,21,16,9,6,20,3,11,14,15,18,24,22,32,23,33,2,26,30,28,10,17/E:(2,3)(5,6)(7,8)(12,13)(23,24)(29,30)/rA:33nCOCCCCCCCOCCCCCCOCCCCCCCCOCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;s14s18;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O7
All Atoms:57
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:7.84083
Area:681.745
Solvation:-9.2028
Coulombic:-54.3419
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:448.465
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.51
LogP (Chemaxon):3.84

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Experimental Annotations

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Descriptor Annotations

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