Chemical ID: 4372139

CCOc1ccc(cc1)OCCCOc2ccccc2OC
Chemical ID:
4372139
Name [?]:
1-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2ccccc2OC
InChi [?]:
InChI=1/C18H22O4/c1-3-20-15-9-11-16(12-10-15)21-13-6-14-22-18-8-5-4-7-17(18)19-2/h4-5,7-12H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,18,17,12,19,16,5,9,6,8,11,13,4,7,20,15,21,3,10,14/E:(9,10)(11,12)/rA:22nCCOCCCCCCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.76718
Area:544.626
Solvation:-6.84848
Coulombic:-29.847
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:302.365
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):3.3

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Experimental Annotations

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Descriptor Annotations

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