ChemDB: Chemical Search
Download
Chemical ID: 4734268
Chemical ID:
4734268
Name [?]:
1-(4,5-dimethoxy-2-methyl-phenyl)ethanone
SMILES [?]:
Cc1cc(c(cc1C(=O)C)OC)OC
InChi [?]:
InChI=1/C11H14O3/c1-7-5-10(13-3)11(14-4)6-9(7)8(2)12/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,14,12,3,6,2,8,7,4,5,9,13,11/rA:14nCCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;s4;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.96763 |
Area: | 361.232 |
Solvation: | -5.06317 |
Coulombic: | -20.7515 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.32 |
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 |
---|