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Chemical ID: 7040016
Chemical ID:
7040016
Name [?]:
[2-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C26H24O6/c1-17-9-11-18(12-10-17)21(27)14-13-19-7-5-6-8-22(19)32-26(28)20-15-23(29-2)25(31-4)24(16-20)30-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,14,15,13,16,3,7,4,6,11,10,26,22,2,5,12,21,8,17,25,23,24,19,9,20,27,31,29,18/E:(2,3)(9,10)(11,12)(15,16)(23,24)(29,30)/rA:32nCCCCCCCCOCCCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O6 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93714 |
Area: | 672.869 |
Solvation: | -6.88459 |
Coulombic: | -52.1867 |
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: | 5.13 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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