Chemical ID: 4299561

COc1ccc(cc1)OCCCCOc2cccc(c2)Cl
Chemical ID:
4299561
Name [?]:
1-[4-(3-chlorophenoxy)butoxy]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCCOc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H19ClO3/c1-19-15-7-9-16(10-8-15)20-11-2-3-12-21-17-6-4-5-14(18)13-17/h4-10,13H,2-3,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,17,18,16,4,8,5,7,10,13,20,19,3,6,15,21,2,9,14/E:(7,8)(9,10)/rA:21nCOCCCCCCOCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.98763
Area:540.744
Solvation:-4.53097
Coulombic:-23.945
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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