Chemical ID: 4298948

COc1ccccc1OCCCCOc2cccc3c2cccc3
Chemical ID:
4298948
Name [?]:
1-[4-(2-methoxyphenoxy)butoxy]naphthalene
SMILES [?]:
COc1ccccc1OCCCCOc2cccc3c2cccc3
InChi [?]:
InChI=1/C21H22O3/c1-22-20-12-4-5-13-21(20)24-16-7-6-15-23-19-14-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,6-7,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,5,6,12,11,17,24,18,21,4,7,16,13,10,19,20,15,3,8,2,14,9/rA:24nCOCCCCCCOCCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.59064
Area:563.504
Solvation:-5.49697
Coulombic:-25.2395
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:322.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.29
LogP (Chemaxon):4.66

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Descriptor Annotations

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