ChemDB: Chemical Search
Download
Chemical ID: 7486577
Chemical ID:
7486577
Name [?]:
(4-methyl-2-tert-butyl-phenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1ccc(c(c1)C(C)(C)C)OC(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C21H24O3/c1-15-6-12-19(18(14-15)21(2,3)4)24-20(22)13-9-16-7-10-17(23-5)11-8-16/h6-14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,10,11,24,3,18,22,16,19,21,4,15,7,2,17,20,6,5,13,8,14,23,12/E:(2,3,4)(7,8)(10,11)/rA:24nCCCCCCCCCCCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24O3 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6074 |
Area: | 547.236 |
Solvation: | -3.0735 |
Coulombic: | -29.3262 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.75 |
LogP (Chemaxon): | 5.71 |
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 |
---|