ChemDB: Chemical Search
Download
Chemical ID: 6918083
Chemical ID:
6918083
Name [?]:
4-(2-hydroxy-3-isopropylamino-propoxy)phenol
SMILES [?]:
CC(C)NCC(COc1ccc(cc1)O)O
InChi [?]:
InChI=1/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,13,10,14,5,7,2,12,6,9,4,15,16,8/E:(1,2)(3,4)(5,6)/rA:16cCCCNCCCOCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.88328 |
Area: | 435.898 |
Solvation: | -5.01416 |
Coulombic: | -48.3419 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.284 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.36 |
LogP (Chemaxon): | 0.93 |
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 |
---|