ChemDB: Chemical Search
Download
Chemical ID: 7338994
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|