Chemical ID: 4371280

CCOc1ccc(cc1)OCCCCOc2ccc(cc2)C
Chemical ID:
4371280
Name [?]:
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCCOc2ccc(cc2)C
InChi [?]:
InChI=1/C19H24O3/c1-3-20-17-10-12-19(13-11-17)22-15-5-4-14-21-18-8-6-16(2)7-9-18/h6-13H,3-5,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,13,12,18,20,17,21,5,9,6,8,14,11,19,4,16,7,3,15,10/E:(6,7)(8,9)(10,11)(12,13)/rA:22nCCOCCCCCCOCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.47186
Area:558.493
Solvation:-4.49046
Coulombic:-23.9765
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.392
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):4.47

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Descriptor Annotations

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