Chemical ID: 5003164

CC(=O)c1ccc(c(c1)OC)OCC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
5003164
Name [?]:
1-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-3-methoxy-phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(c(c1)OC)OCC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H20O6/c1-12(20)13-5-8-17(19(9-13)24-4)25-11-15(21)14-6-7-16(22-2)18(10-14)23-3/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,23,11,5,17,18,6,9,21,13,2,4,16,14,19,7,20,8,3,15,24,22,10,12/rA:25nCCOCCCCCCOCOCCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.24565
Area:567.926
Solvation:-10.9525
Coulombic:-41.3203
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:344.358
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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