ChemDB: Chemical Search
Download
Chemical ID: 7039347
Chemical ID:
7039347
Name [?]:
[2-methoxy-4-[3-oxo-3-(p-tolyl)prop-1-enyl]-phenyl] benzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H20O4/c1-17-8-12-19(13-9-17)21(25)14-10-18-11-15-22(23(16-18)27-2)28-24(26)20-6-4-3-5-7-20/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,26,25,27,24,28,3,7,11,13,4,6,10,14,17,2,12,5,23,8,15,16,21,9,22,18,20/E:(4,5)(6,7)(8,9)(12,13)/rA:28nCCCCCCCCOCCCCCCCCOCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4449 |
Area: | 620.68 |
Solvation: | -4.07209 |
Coulombic: | -39.7001 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.46 |
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 |
---|