ChemDB: Chemical Search
Download
Chemical ID: 5199463
Chemical ID:
5199463
Name [?]:
2,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one
SMILES [?]:
CC1C(C(=C(C1=O)C)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H18O/c1-13-17(15-9-5-3-6-10-15)18(14(2)19(13)20)16-11-7-4-8-12-16/h3-13,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,18,12,17,19,11,13,16,20,10,14,2,5,15,9,3,4,6,7/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s2s5;d6;s5;s4;s9;d10;s11;d12;d9s13;s3;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.37738 |
Area: | 450.92 |
Solvation: | -1.89562 |
Coulombic: | -11.7842 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.97 |
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 |
---|