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Chemical ID: 4265051
Chemical ID:
4265051
Name [?]:
1,4-bis(phenoxymethyl)benzene
SMILES [?]:
c1ccc(cc1)OCc2ccc(cc2)COc3ccccc3
InChi [?]:
InChI=1/C20H18O2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,10,14,11,13,8,15,9,12,4,17,7,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCOCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08943 |
Area: | 522.2 |
Solvation: | -3.96558 |
Coulombic: | -19.067 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.356 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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