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Chemical ID: 5369610
Chemical ID:
5369610
Name [?]:
(4-benzyloxyphenyl) 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C25H24O6/c1-27-22-15-19(16-23(28-2)25(22)29-3)9-14-24(26)31-21-12-10-20(11-13-21)30-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,29,28,30,27,31,13,20,22,19,23,14,4,6,25,26,5,21,18,3,7,15,8,16,2,11,9,24,17/E:(1,2)(5,6)(7,8)(10,11)(12,13)(15,16)(22,23)(27,28)/rA:31nCOCCCCCCOCOCCCCOOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94306 |
Area: | 641.468 |
Solvation: | -8.09365 |
Coulombic: | -50.0069 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.454 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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