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Chemical ID: 6653464
Chemical ID:
6653464
Name [?]:
1-(3-benzyloxy-4-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OCc2ccccc2)C(=O)C=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C26H26O6/c1-28-22-13-11-20(16-23(22)32-17-18-8-6-5-7-9-18)21(27)12-10-19-14-24(29-2)26(31-4)25(15-19)30-3/h5-16H,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,14,13,15,12,16,20,5,19,4,26,22,7,10,11,21,6,17,3,8,25,23,24,18,2,27,31,29,9/E:(2,3)(6,7)(8,9)(14,15)(24,25)(29,30)/rA:32nCOCCCCCCOCCCCCCCCOCCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s6;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40291 |
Area: | 676.776 |
Solvation: | -10.5165 |
Coulombic: | -45.6786 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 434.481 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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