Chemical ID: 4374650

CCOc1ccc(cc1)OCCCOc2ccccc2Cl
Chemical ID:
4374650
Name [?]:
1-[3-(2-chlorophenoxy)propoxy]-4-ethoxy-benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2ccccc2Cl
InChi [?]:
InChI=1/C17H19ClO3/c1-2-19-14-8-10-15(11-9-14)20-12-5-13-21-17-7-4-3-6-16(17)18/h3-4,6-11H,2,5,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,12,19,16,5,9,6,8,11,13,4,7,20,15,21,3,10,14/E:(8,9)(10,11)/rA:21nCCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.6486
Area:539.745
Solvation:-4.84503
Coulombic:-23.9902
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.784
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):4.07

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Experimental Annotations

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Descriptor Annotations

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