Chemical ID: 4371139

CCOc1ccc(cc1)OCCCCOc2ccc3ccccc3c2
Chemical ID:
4371139
Name [?]:
2-[4-(4-ethoxyphenoxy)butoxy]naphthalene
SMILES [?]:
CCOc1ccc(cc1)OCCCCOc2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H24O3/c1-2-23-20-11-13-21(14-12-20)24-15-5-6-16-25-22-10-9-18-7-3-4-8-19(18)17-22/h3-4,7-14,17H,2,5-6,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,12,13,20,23,18,17,5,9,6,8,11,14,25,19,24,4,7,16,3,10,15/E:(11,12)(13,14)/rA:25nCCOCCCCCCOCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1661
Area:592.43
Solvation:-4.64469
Coulombic:-24.8356
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.424
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.98
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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