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Chemical ID: 6667750
Chemical ID:
6667750
Name [?]:
4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxy-benzene
SMILES [?]:
COc1ccc(cc1OC)COCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,10,21,5,15,4,16,7,19,11,13,6,14,3,17,8,18,2,22,9,20,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:23nCOCCCCCCOCCOCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.17854 |
Area: | 550.624 |
Solvation: | -9.58707 |
Coulombic: | -36.2536 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 318.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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