ChemDB: Chemical Search
Download
Chemical ID: 4146464
Chemical ID:
4146464
Name [?]:
(3,4-dimethylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1ccc(cc1C)OC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H20O4/c1-13-5-8-16(11-14(13)2)23-19(20)10-7-15-6-9-17(21-3)18(12-15)22-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,23,21,3,15,13,4,16,12,6,19,2,7,14,5,17,18,10,11,22,20,9/rA:23nCCCCCCCCOCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34164 |
Area: | 510.397 |
Solvation: | -5.41828 |
Coulombic: | -34.1142 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.3 |
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 |
---|