ChemDB: Chemical Search
Download
Chemical ID: 4177071
Chemical ID:
4177071
Name [?]:
1-(4-methoxyphenyl)-3-(1-naphthyl)prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H16O2/c1-22-18-12-9-17(10-13-18)20(21)14-11-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,15,22,16,14,19,5,7,12,4,8,11,17,13,6,3,18,9,10,2/E:(9,10)(12,13)/rA:22nCOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43207 |
Area: | 484.285 |
Solvation: | -3.67505 |
Coulombic: | -18.5454 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.76 |
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 |
---|