Chemical ID: 4374485

CCOc1ccc(cc1)OCCCOc2cc(ccc2Cl)C
Chemical ID:
4374485
Name [?]:
1-chloro-2-[3-(4-ethoxyphenoxy)propoxy]-4-methyl-benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2cc(ccc2Cl)C
InChi [?]:
InChI=1/C18H21ClO3/c1-3-20-15-6-8-16(9-7-15)21-11-4-12-22-18-13-14(2)5-10-17(18)19/h5-10,13H,3-4,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,12,18,5,9,6,8,19,11,13,16,17,4,7,20,15,21,3,10,14/E:(6,7)(8,9)/rA:22nCCOCCCCCCOCCCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.20645
Area:559.919
Solvation:-4.79151
Coulombic:-23.8046
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.81
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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