Chemical ID: 4299679

COc1ccc(cc1)OCCCOc2ccc(cc2Cl)Cl
Chemical ID:
4299679
Name [?]:
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H16Cl2O3/c1-19-13-4-6-14(7-5-13)20-9-2-10-21-16-8-3-12(17)11-15(16)18/h3-8,11H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,16,4,8,5,7,15,10,12,18,17,3,6,19,14,21,20,2,9,13/E:(4,5)(6,7)/rA:21nCOCCCCCCOCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16Cl2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.65898
Area:545.449
Solvation:-4.97725
Coulombic:-23.3386
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.202
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.18
LogP (Chemaxon):4.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue