ChemDB: Chemical Search
Download
Chemical ID: 7039268
Chemical ID:
7039268
Name [?]:
[4-(3-phenylprop-2-enoyl)phenyl] 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-21-9-5-8-19(16-21)23(25)27-20-13-11-18(12-14-20)22(24)15-10-17-6-3-2-4-7-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,23,27,6,4,21,14,16,13,17,20,8,22,15,7,12,3,18,9,19,10,2,11/E:(3,4)(6,7)(11,12)(13,14)/rA:27nCOCCCCCCCOOCCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O4 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.019 |
Area: | 610.008 |
Solvation: | -4.23116 |
Coulombic: | -38.3965 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 358.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.99 |
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 |
---|