Chemical ID: 7040496

Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4ccc(cc4)C(=O)C=Cc5ccc(cc5)OC
Chemical ID:
7040496
Name [?]:
[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl] 5-benzyloxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4ccc(cc4)C(=O)C=Cc5ccc(cc5)OC
InChi [?]:
InChI=1/C33H26O6/c1-22-32(29-20-28(17-19-31(29)38-22)37-21-24-6-4-3-5-7-24)33(35)39-27-15-11-25(12-16-27)30(34)18-10-23-8-13-26(36-2)14-9-23/h3-20H,21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,39,16,15,17,14,18,33,37,31,24,26,34,36,23,27,7,30,8,5,12,2,32,13,25,35,22,6,4,28,9,3,19,29,20,38,11,10,21/E:(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:39nCCCCCCCCCOOCCCCCCCCOOCCCCCCCOCCCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s3;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;w30;s31;s32;d33;s34;d35;d32s36;s35;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H26O6
All Atoms:65
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:13.8779
Area:823.214
Solvation:-6.70247
Coulombic:-52.3508
Bond Count [?]
All:43
Single:27
Double:16
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:518.556
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.09
LogP (Chemaxon):7.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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