Chemical ID: 4299024

COc1ccc(cc1)OCCCCOc2ccccc2Cl
Chemical ID:
4299024
Name [?]:
1-[4-(2-chlorophenoxy)butoxy]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCCOc2ccccc2Cl
InChi [?]:
InChI=1/C17H19ClO3/c1-19-14-8-10-15(11-9-14)20-12-4-5-13-21-17-7-3-2-6-16(17)18/h2-3,6-11H,4-5,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,11,12,19,16,4,8,5,7,10,13,3,6,20,15,21,2,9,14/E:(8,9)(10,11)/rA:21nCOCCCCCCOCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;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:8.77396
Area:539.068
Solvation:-4.70272
Coulombic:-24.3263
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:306.784
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.92
LogP (Chemaxon):4.18

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