ChemDB: Chemical Search
Download
Chemical ID: 4742902
Chemical ID:
4742902
Name [?]:
1-[2-(1-naphthyloxy)ethoxy]naphthalene
SMILES [?]:
c1ccc2c(c1)cccc2OCCOc3cccc4c3cccc4
InChi [?]:
InChI=1/C22H18O2/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24-22-14-6-10-18-8-2-4-12-20(18)22/h1-14H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,23,2,22,8,17,6,24,7,18,3,21,9,16,12,13,5,19,4,20,10,15,11,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCCCCCOCCOCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12035 |
Area: | 526.463 |
Solvation: | -4.04122 |
Coulombic: | -19.1394 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.93 |
LogP (Chemaxon): | 5.41 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|