ChemDB: Chemical Search
Download
Chemical ID: 6652922
Chemical ID:
6652922
Name [?]:
1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)CCCCc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C20H22O2/c1-15(21)19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)16(2)22/h7-14H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,11,12,10,13,6,8,15,19,5,9,16,18,2,20,7,14,4,17,3,21/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCOCCCCCCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5355 |
Area: | 552.137 |
Solvation: | -3.26791 |
Coulombic: | -17.6877 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 294.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.19 |
LogP (Chemaxon): | 3.93 |
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 |
---|