Chemical ID: 4371459

Cc1cc(ccc1OCCCOc2cccc(c2)OC)Cl
Chemical ID:
4371459
Name [?]:
4-chloro-1-[3-(3-methoxyphenoxy)propoxy]-2-methyl-benzene
SMILES [?]:
Cc1cc(ccc1OCCCOc2cccc(c2)OC)Cl
InChi [?]:
InChI=1/C17H19ClO3/c1-13-11-14(18)7-8-17(13)21-10-4-9-20-16-6-3-5-15(12-16)19-2/h3,5-8,11-12H,4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,10,16,14,5,6,11,9,3,18,2,4,17,13,7,21,19,12,8/rA:21nCCCCCCCOCCCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.44481
Area:532.218
Solvation:-4.86064
Coulombic:-23.297
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.784
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.78
LogP (Chemaxon):4.19

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