ChemDB: Chemical Search
Download
Chemical ID: 4299456
Chemical ID:
4299456
Name [?]:
4-[4-(4-methoxyphenoxy)butoxy]-1,2-dimethyl-benzene
SMILES [?]:
Cc1ccc(cc1C)OCCCCOc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H24O3/c1-15-6-7-19(14-16(15)2)22-13-5-4-12-21-18-10-8-17(20-3)9-11-18/h6-11,14H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,22,12,11,3,4,17,19,16,20,13,10,6,2,7,18,15,5,21,14,9/E:(8,9)(10,11)/rA:22nCCCCCCCCOCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11384 |
Area: | 548.655 |
Solvation: | -4.60254 |
Coulombic: | -23.5076 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.6 |
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 |
---|