ChemDB: Chemical Search
Download
Chemical ID: 6678599
Chemical ID:
6678599
Name [?]:
1-(4-hydroxy-2,5-dimethyl-phenyl)ethanone
SMILES [?]:
Cc1cc(c(cc1O)C)C(=O)C
InChi [?]:
InChI=1/C10H12O2/c1-6-5-10(12)7(2)4-9(6)8(3)11/h4-5,12H,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,12,3,6,5,2,10,4,7,11,8/rA:12nCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.7378 |
Area: | 326.087 |
Solvation: | -2.41439 |
Coulombic: | -23.5895 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.01 |
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 |
---|