ChemDB: Chemical Search
Download
Chemical ID: 7040005
Chemical ID:
7040005
Name [?]:
[4-[3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C26H24O6/c1-17-5-9-19(10-6-17)26(28)32-23-14-8-18(15-25(23)31-4)7-13-22(27)21-12-11-20(29-2)16-24(21)30-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,30,18,3,7,19,13,4,6,25,24,20,12,15,27,2,14,5,26,23,21,11,28,16,8,22,9,31,29,17,10/E:(5,6)(9,10)/rA:32nCCCCCCCCOOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O6 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84101 |
Area: | 691.671 |
Solvation: | -7.45075 |
Coulombic: | -50.7225 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 432.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.95 |
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 |
---|