Chemical ID: 7040271

CCOc1ccccc1C=CC(=O)c2ccc(cc2)OC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
7040271
Name [?]:
[4-[3-(2-ethoxyphenyl)prop-2-enoyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
CCOc1ccccc1C=CC(=O)c2ccc(cc2)OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C27H26O7/c1-5-33-23-9-7-6-8-19(23)12-15-22(28)18-10-13-21(14-11-18)34-27(29)20-16-24(30-2)26(32-4)25(17-20)31-3/h6-17H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,34,32,2,7,6,8,5,15,19,10,16,18,11,28,24,14,9,23,17,12,4,27,25,26,21,13,22,29,33,31,3,20/E:(2,3)(10,11)(13,14)(16,17)(24,25)(30,31)/rA:34nCCOCCCCCCCCCOCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26O7
All Atoms:60
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:9.85356
Area:738.778
Solvation:-8.61588
Coulombic:-57.9795
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:462.491
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.03
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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