ChemDB: Chemical Search
Download
Chemical ID: 6884219
Chemical ID:
6884219
Name [?]:
[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-(3,4-dimethylphenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(c(c4)C)C)C
InChi [?]:
InChI=1/C27H24O6/c1-16-5-6-18(3)23(11-16)33-25-14-31-24-13-21(9-10-22(24)27(25)29)32-26(28)15-30-20-8-7-17(2)19(4)12-20/h5-14H,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,31,3,4,27,26,15,16,7,30,13,10,23,2,28,5,29,25,14,17,6,12,9,21,18,22,19,24,11,20,8/rA:33nCCCCCCCOCCOCCCCCCCOOCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24O6 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9219 |
Area: | 689.856 |
Solvation: | -5.32452 |
Coulombic: | -51.6097 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 444.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.94 |
LogP (Chemaxon): | 6.47 |
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 |
---|