Chemical ID: 7040016

Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3cc(c(c(c3)OC)OC)OC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue