ChemDB: Chemical Search
Download
Chemical ID: 7042764
Chemical ID:
7042764
Name [?]:
1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CC(OC(C2)C)C)O
InChi [?]:
InChI=1/C16H25NO3/c1-12-5-4-6-16(7-12)19-11-15(18)10-17-8-13(2)20-14(3)9-17/h4-7,13-15,18H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,4,3,5,7,17,13,11,9,2,16,14,10,6,12,20,8,15/E:(2,3)(8,9)(13,14)/rA:20cCCCCCCCOCCCNCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO3 |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.83308 |
Area: | 500.246 |
Solvation: | -6.67307 |
Coulombic: | -35.5162 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.35 |
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 |
---|