ChemDB: Chemical Search
Download
Chemical ID: 5250661
Chemical ID:
5250661
Name [?]:
2-(5-isopropyl-2-methyl-phenoxy)ethanol
SMILES [?]:
Cc1ccc(cc1OCCO)C(C)C
InChi [?]:
InChI=1/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)14-7-6-13/h4-5,8-9,13H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:13,14,1,3,4,10,9,6,12,2,5,7,11,8/E:(1,2)/rA:14nCCCCCCCOCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s5;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24643 |
Area: | 389.388 |
Solvation: | -3.48828 |
Coulombic: | -24.9488 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.01 |
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 |
---|