ChemDB: Chemical Search
Download
Chemical ID: 4963737
Chemical ID:
4963737
Name [?]:
1-(4-isopropylphenoxy)propan-2-ol
SMILES [?]:
CC(C)c1ccc(cc1)OCC(C)O
InChi [?]:
InChI=1/C12H18O2/c1-9(2)11-4-6-12(7-5-11)14-8-10(3)13/h4-7,9-10,13H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,5,9,6,8,11,2,12,4,7,14,10/E:(1,2)(4,5)(6,7)/rA:14cCCCCCCCCCOCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.34533 |
Area: | 391.977 |
Solvation: | -3.4541 |
Coulombic: | -25.3748 |
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: | 3.09 |
LogP (Chemaxon): | 2.96 |
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 |
---|