Chemical ID: 4267665

c1ccc(cc1)COc2ccc(cc2)OCc3ccccc3
Chemical ID:
4267665
Name [?]:
1,4-dibenzyloxybenzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,10,14,11,13,7,16,4,17,9,12,8,15/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCOCCCCCCOCCCCCCC/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:9.29759
Area:521.46
Solvation:-3.73891
Coulombic:-18.9628
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue