Chemical ID: 6608686

Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)C(=O)OC
Chemical ID:
6608686
Name [?]:
methyl 4-[[2-methoxy-4-[3-oxo-3-(p-tolyl)prop-1-enyl]-phenoxy]methyl]benzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C26H24O5/c1-18-4-10-21(11-5-18)23(27)14-8-19-9-15-24(25(16-19)29-2)31-17-20-6-12-22(13-7-20)26(28)30-3/h4-16H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,31,3,7,23,27,11,13,4,6,24,26,10,14,17,21,2,12,22,5,25,8,15,16,28,9,29,18,30,20/E:(4,5)(6,7)(10,11)(12,13)/rA:31nCCCCCCCCOCCCCCCCCOCOCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.4363
Area:682.225
Solvation:-6.61938
Coulombic:-45.2491
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:416.466
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.49
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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