ChemDB: Chemical Search
Download
Chemical ID: 4350563
Chemical ID:
4350563
Name [?]:
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-1-phenyl-prop-2-en-1-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H21ClO3/c1-2-27-24-16-18(12-14-22(26)19-8-4-3-5-9-19)13-15-23(24)28-17-20-10-6-7-11-21(20)25/h3-16H,2,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,14,15,24,28,13,16,19,7,20,8,5,11,6,23,12,17,21,9,4,18,22,3,10/E:(4,5)(8,9)/rA:28nCCOCCCCCCOCCCCCCCClCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8398 |
Area: | 630.659 |
Solvation: | -4.92666 |
Coulombic: | -27.6422 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.874 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.16 |
LogP (Chemaxon): | 6.14 |
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 |
---|