Chemical ID: 4299481

COc1ccc(cc1)OCCCOc2cccc(c2)Cl
Chemical ID:
4299481
Name [?]:
1-[3-(3-chlorophenoxy)propoxy]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H17ClO3/c1-18-14-6-8-15(9-7-14)19-10-3-11-20-16-5-2-4-13(17)12-16/h2,4-9,12H,3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,11,17,15,4,8,5,7,10,12,19,18,3,6,14,20,2,9,13/E:(6,7)(8,9)/rA:20nCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.13138
Area:516.322
Solvation:-4.77667
Coulombic:-23.3791
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.757
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.56
LogP (Chemaxon):3.73

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